UCSF

ZINC42581537

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 3.09 7.02 -115.2 4 2 2 32 242.451 5
Hi High (pH 8-9.5) 3.09 5.43 -39.34 3 2 1 31 241.443 5

Activity (Go SEA)

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