UCSF

ZINC42775139

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.54 8.03 -27.91 1 4 1 36 267.393 7
Mid Mid (pH 6-8) 1.54 6.42 -7.72 0 4 0 34 266.385 7

Activity (Go SEA)

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