UCSF

ZINC43419632

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 0.40 3.47 -51.73 3 4 1 71 212.317 7
Mid Mid (pH 6-8) 0.40 2.2 -11.54 2 4 0 70 211.309 7

Activity (Go SEA)

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