UCSF

ZINC36754185

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 14 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) -0.71 3.44 -83.67 4 4 2 50 196.298 3
Mid Mid (pH 6-8) -0.71 2.93 -48.8 3 4 1 49 195.29 3

Activity (Go SEA)

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