UCSF

ZINC53129848

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 1.58 0.69 -11.07 3 6 0 98 268.276 3
Lo Low (pH 4.5-6) 1.58 1.15 -38.32 4 6 1 99 269.284 3

Activity (Go SEA)

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