UCSF

ZINC01278429

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 28 No

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) 3.32 7.73 -53.18 0 6 -1 80 372.404 3
Ref Reference (pH 7) 3.32 7.85 -51.95 0 6 -1 80 372.404 3
Lo Low (pH 4.5-6) 2.87 10.28 -11.75 1 6 0 77 373.412 3

Activity (Go SEA)

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