UCSF

ZINC37376741

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 0.76 2.8 -101.57 4 5 2 60 256.346 6
Mid Mid (pH 6-8) 0.76 0.67 -39.25 3 5 1 59 255.338 6
Mid Mid (pH 6-8) 0.76 2.45 -29.63 3 5 1 58 255.338 6

Activity (Go SEA)

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