UCSF

ZINC34475174

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 14 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) 3.17 5.02 -42.08 3 2 1 29 191.298 2
Hi High (pH 8-9.5) 3.17 3.58 -3.07 2 2 0 24 190.29 2

Activity (Go SEA)

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