UCSF

ZINC01745939

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 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) 0.72 3.43 -12.84 3 6 0 90 221.264 5
Lo Low (pH 4.5-6) 0.72 3.7 -36.33 4 6 1 91 222.272 5
Lo Low (pH 4.5-6) 0.72 -0.68 -34.94 4 6 1 91 222.272 5

Activity (Go SEA)

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