UCSF

ZINC37980396

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 19 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) 0.78 2.99 -45.63 2 5 1 50 283.783 4
Mid Mid (pH 6-8) 0.78 2.89 -49.56 2 5 1 50 283.783 4
Mid Mid (pH 6-8) 0.78 0.62 -13.28 1 5 0 48 282.775 4

Activity (Go SEA)

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