UCSF

ZINC09124320

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 36 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) 4.82 9.42 -14.17 3 7 0 99 487.531 6
Hi High (pH 8-9.5) 4.82 10.19 -40.36 2 7 -1 102 486.523 6
Hi High (pH 8-9.5) 4.59 9.3 -59.9 1 7 -1 98 486.523 6
Hi High (pH 8-9.5) 4.59 9.6 -46.48 1 7 -1 98 486.523 6

Activity (Go SEA)

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