UCSF

ZINC46085544

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 25 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) 5.20 13.61 -85.13 2 3 2 22 335.495 7
Hi High (pH 8-9.5) 5.20 11.51 -27.11 1 3 1 21 334.487 7

Activity (Go SEA)

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