UCSF

ZINC44262124

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) 0.48 0.82 -11.03 1 6 0 85 262.262 6
Hi High (pH 8-9.5) 0.48 0.46 -37.63 0 6 -1 87 261.254 6

Activity (Go SEA)

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