UCSF

ZINC57288495

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 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) 1.93 6.28 -41.59 2 4 1 43 263.361 6
Mid Mid (pH 6-8) 1.93 3.79 -8.24 1 4 0 42 262.353 6

Activity (Go SEA)

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