UCSF

ZINC43402393

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 0.94 2.99 -55.98 3 7 1 101 286.315 3
Hi High (pH 8-9.5) 0.94 2.72 -14.98 2 7 0 100 285.307 3

Activity (Go SEA)

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