UCSF

ZINC12772376

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 31 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) 4.22 8.52 -48.87 0 7 -1 87 450.466 8
Lo Low (pH 4.5-6) 3.76 9.93 -17.07 1 7 0 84 451.474 8

Activity (Go SEA)

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