UCSF

ZINC43416413

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 2.61 10.49 -57.88 1 4 1 61 286.399 9
Mid Mid (pH 6-8) 2.61 8.71 -11.35 0 4 0 60 285.391 9

Activity (Go SEA)

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