UCSF

ZINC37795406

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.87 3.98 -105.87 1 8 -2 122 271.236 4
Lo Low (pH 4.5-6) 0.87 1.99 -54.35 2 8 -1 119 272.244 4

Activity (Go SEA)

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