UCSF

ZINC31892706

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) -0.23 1.83 -72.43 0 8 -1 101 306.298 4
Mid Mid (pH 6-8) -0.23 4.23 -92.56 1 8 0 102 307.306 4

Activity (Go SEA)

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