UCSF

ZINC34672023

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 28 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) 2.84 9.2 -18.45 1 7 0 75 380.448 5
Lo Low (pH 4.5-6) 2.84 9.55 -46.93 2 7 1 76 381.456 5

Activity (Go SEA)

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