UCSF

ZINC69627346

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 21 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) 1.80 4.01 -37.99 1 6 1 56 297.423 7
Mid Mid (pH 6-8) 1.80 1.7 -7.37 0 6 0 55 296.415 7
Mid Mid (pH 6-8) 1.80 3.96 -40.74 1 6 1 56 297.423 7

Activity (Go SEA)

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