UCSF

ZINC36749079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 0.65 3.68 -42.47 4 5 1 60 236.343 2
Mid Mid (pH 6-8) 0.65 3.8 -83.35 5 5 2 62 237.351 2

Activity (Go SEA)

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