UCSF

ZINC44624200

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 0.57 3.22 -48.41 3 4 1 58 177.231 3
Mid Mid (pH 6-8) 0.57 2.79 -35.63 2 4 0 56 176.223 3

Activity (Go SEA)

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