UCSF

ZINC42206102

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 2.65 9.25 -44.64 1 3 1 25 314.247 6
Hi High (pH 8-9.5) 2.65 6.98 -8.97 0 3 0 24 313.239 6

Activity (Go SEA)

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