UCSF

ZINC08836425

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 30 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) 4.96 -3.41 -14.5 2 7 0 93 424.457 6
Hi High (pH 8-9.5) 4.96 -3.05 -41.89 1 7 -1 95 423.449 6

Activity (Go SEA)

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