UCSF

ZINC34830610

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 36 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) 4.27 13.03 -56.04 1 6 1 62 524.732 7
Mid Mid (pH 6-8) 4.27 11.41 -18.52 0 6 0 61 523.724 7

Activity (Go SEA)

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