UCSF

ZINC34840646

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 26 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) 5.68 14.84 -40.17 1 2 1 14 346.494 8
Hi High (pH 8-9.5) 5.68 12.52 -4.85 0 2 0 12 345.486 8

Activity (Go SEA)

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