UCSF

ZINC03247919

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 35 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) 2.43 10.61 -27.19 1 8 0 93 490.585 7
Hi High (pH 8-9.5) 2.43 11.06 -85.44 0 8 -1 95 489.577 7

Activity (Go SEA)

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