UCSF

ZINC37043414

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.45 5.82 -53.87 4 4 1 81 284.314 3
Mid Mid (pH 6-8) 0.45 5.5 -10.5 3 4 0 79 283.306 3

Activity (Go SEA)

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