UCSF

ZINC44511011

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 1.02 4.79 -111.89 4 3 2 42 216.369 8
Mid Mid (pH 6-8) 1.02 3.42 -33.78 3 3 1 38 215.361 8
Mid Mid (pH 6-8) 1.02 3.59 -36.84 3 3 1 38 215.361 8

Activity (Go SEA)

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