UCSF

ZINC36672902

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 3.20 6.03 -41.35 2 2 1 26 271.178 2
Hi High (pH 8-9.5) 3.20 4.73 -2.57 1 2 0 21 270.17 2

Activity (Go SEA)

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