UCSF

ZINC37926625

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 18 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) 0.83 0.67 -10.48 1 6 0 79 294.398 6
Mid Mid (pH 6-8) 1.29 -1.56 -41.84 0 6 -1 83 293.39 6

Activity (Go SEA)

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