UCSF

ZINC01071902

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 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) 1.67 1.01 -16.73 1 9 0 109 402.432 8
Lo Low (pH 4.5-6) 1.67 1.49 -51.81 2 9 1 110 403.44 8
Lo Low (pH 4.5-6) 1.86 -0.71 -53.02 2 9 1 113 403.44 8

Activity (Go SEA)

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