UCSF

ZINC04382152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 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) 3.88 7.99 -9.07 1 3 0 38 302.443 5
Mid Mid (pH 6-8) 3.88 8.45 -26.94 2 3 1 39 303.451 5

Activity (Go SEA)

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