UCSF

ZINC08717605

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 33 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) 4.17 13.21 -14.84 1 9 0 100 449.511 8
Lo Low (pH 4.5-6) 4.35 13.38 -36.13 2 9 1 105 450.519 8

Activity (Go SEA)

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