UCSF

ZINC07053563

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 22 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) 4.12 -1.94 -9.11 1 3 0 46 319.332 3
Hi High (pH 8-9.5) 4.12 -1.36 -42.21 0 3 -1 48 318.324 3

Activity (Go SEA)

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