UCSF

ZINC36664776

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 21 No

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) 0.58 7.1 -26.56 2 5 0 75 309.387 4
Mid Mid (pH 6-8) 0.58 6.25 -46.05 1 5 -1 71 308.379 4

Activity (Go SEA)

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