UCSF

ZINC34140476

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 11 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) 1.04 3.5 -40.38 3 3 1 54 160.237 5
Mid Mid (pH 6-8) 1.04 3.16 -4.46 2 3 0 52 159.229 5

Activity (Go SEA)

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