UCSF

ZINC08853665

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 25 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.64 7.02 -10.65 2 5 0 75 466.3 3
Hi High (pH 8-9.5) 6.10 6.18 -103.82 0 5 -2 81 464.284 3
Hi High (pH 8-9.5) 6.10 5.26 -44.4 1 5 -1 78 465.292 3
Hi High (pH 8-9.5) 6.10 5.95 -42.95 1 5 -1 78 465.292 3
Hi High (pH 8-9.5) 5.64 7.94 -46.51 1 5 -1 78 465.292 3
Hi High (pH 8-9.5) 5.64 8.36 -46.49 1 5 -1 78 465.292 3
Hi High (pH 8-9.5) 5.16 7.93 -98.35 0 5 -2 76 464.284 4
Hi High (pH 8-9.5) 6.10 6.88 -102.22 0 5 -2 81 464.284 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )