UCSF

ZINC69652379

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 20 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) 1.42 3.06 -37.9 1 6 1 56 283.396 6
Mid Mid (pH 6-8) 1.42 0.73 -7.44 0 6 0 55 282.388 6
Mid Mid (pH 6-8) 1.42 2.99 -40.87 1 6 1 56 283.396 6

Activity (Go SEA)

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