UCSF

ZINC37405046

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 9 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) 1.14 2.08 -37.14 2 2 1 26 130.211 1
Hi High (pH 8-9.5) 1.14 0.79 -2.05 1 2 0 21 129.203 1

Activity (Go SEA)

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