UCSF

ZINC53138360

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.30 7.7 -36.48 3 2 1 37 292.349 4
Mid Mid (pH 6-8) 2.30 7.38 -4.07 2 2 0 35 291.341 4

Activity (Go SEA)

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