UCSF

ZINC44288809

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 11 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) 1.17 2.35 -39.09 3 3 1 46 159.253 6
Hi High (pH 8-9.5) 1.17 0.99 -6.99 2 3 0 41 158.245 6

Activity (Go SEA)

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