UCSF

ZINC19947985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 16 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) 2.98 6.65 -35.83 2 2 1 16 302.261 3
Lo Low (pH 4.5-6) 2.98 7.83 -116.63 3 2 2 21 303.269 3

Activity (Go SEA)

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