UCSF

ZINC45647848

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 1.82 5.33 -59.81 1 6 -1 79 262.289 6
Mid Mid (pH 6-8) 1.82 5.77 -50.2 2 6 0 80 263.297 6

Activity (Go SEA)

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