UCSF

ZINC36798221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 0.63 0.7 -37.35 5 6 1 83 293.391 5
Mid Mid (pH 6-8) 0.63 -1.64 -11.71 4 6 0 82 292.383 5

Activity (Go SEA)

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