UCSF

ZINC01010366

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 27 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) 4.32 -3.05 -17.16 3 5 0 85 379.485 3
Lo Low (pH 4.5-6) 4.32 -2.98 -39.95 4 5 1 86 380.493 3

Activity (Go SEA)

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