UCSF

ZINC20310241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) 1.07 3.71 -36.62 3 4 1 46 242.387 6
Mid Mid (pH 6-8) 1.07 5.01 -102.65 4 4 2 50 243.395 6
Mid Mid (pH 6-8) 1.07 2.8 -40.32 3 4 1 49 242.387 6

Activity (Go SEA)

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