UCSF

ZINC23361477

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 30 Yes

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) 3.74 9.64 -49.82 3 5 1 54 407.582 7
Hi High (pH 8-9.5) 3.74 8.45 -10.82 2 5 0 49 406.574 7
Lo Low (pH 4.5-6) 3.74 11.88 -126.16 4 5 2 55 408.59 7

Activity (Go SEA)

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