UCSF

ZINC45687030

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 3.12 7.43 -99.78 3 3 2 24 271.493 8
Hi High (pH 8-9.5) 3.12 4.96 -36.37 2 3 1 23 270.485 8

Activity (Go SEA)

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