UCSF

ZINC02165263

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 30 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) 4.30 9.51 -13.11 0 6 0 62 404.466 8
Lo Low (pH 4.5-6) 4.30 9.86 -44.38 1 6 1 63 405.474 8

Activity (Go SEA)

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