UCSF

ZINC36804211

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 21 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) 4.30 9.23 -112.7 3 3 2 30 357.336 6
Mid Mid (pH 6-8) 4.30 7.93 -30.8 2 3 1 26 356.328 6
Mid Mid (pH 6-8) 4.30 7.23 -35.54 2 3 1 29 356.328 6

Activity (Go SEA)

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