UCSF

ZINC41708729

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) 2.35 10.6 -14.85 0 4 0 40 285.391 3
Mid Mid (pH 6-8) 2.35 11.11 -50.34 1 4 1 41 286.399 3

Activity (Go SEA)

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