UCSF

ZINC02104560

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 17 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) 1.18 6.11 -51.95 4 6 1 86 235.315 6
Lo Low (pH 4.5-6) 1.18 1.96 -94.97 5 6 2 87 236.323 6
Lo Low (pH 4.5-6) 1.18 6.37 -107.51 5 6 2 87 236.323 6

Activity (Go SEA)

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