UCSF

ZINC19781683

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 24 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 1.42 -8.04 2 5 0 56 336.476 8
Mid Mid (pH 6-8) 2.30 3.79 -44.43 3 5 1 57 337.484 8
Mid Mid (pH 6-8) 2.30 3.82 -37.38 3 5 1 57 337.484 8

Activity (Go SEA)

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