UCSF

ZINC61905378

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2011 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) 2.32 7.81 -40.02 2 4 1 57 286.399 4
Mid Mid (pH 6-8) 2.32 5.77 -9.11 1 4 0 56 285.391 4

Activity (Go SEA)

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