UCSF

ZINC36721112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 21 No

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) 2.39 7.66 -52.17 2 5 1 66 292.403 7
Mid Mid (pH 6-8) 2.39 10.01 -125.97 3 5 2 67 293.411 7
Mid Mid (pH 6-8) 2.39 8.68 -39.81 2 5 1 62 292.403 7

Activity (Go SEA)

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