UCSF

ZINC09708671

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 28 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) 4.15 -7.68 -16.95 1 6 0 83 434.564 5
Hi High (pH 8-9.5) 4.15 -7.1 -56.99 0 6 -1 85 433.556 5

Activity (Go SEA)

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