UCSF

ZINC34537006

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 13 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) 0.80 -0.72 -27.18 4 4 1 70 185.247 5
Mid Mid (pH 6-8) 0.80 -1.29 -10.19 3 4 0 69 184.239 5

Activity (Go SEA)

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