UCSF

ZINC70166501

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 15 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) 1.91 2.73 -35.66 3 3 1 42 228.385 7
Mid Mid (pH 6-8) 1.91 4.09 -102.36 4 3 2 46 229.393 7

Activity (Go SEA)

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