UCSF

ZINC20052227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 3.24 7.88 -34.21 2 2 1 16 255.451 9
Mid Mid (pH 6-8) 3.24 9.3 -104.81 3 2 2 21 256.459 9
Mid Mid (pH 6-8) 3.24 6.99 -40.4 2 2 1 20 255.451 9

Activity (Go SEA)

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