UCSF

ZINC34651186

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 1.18 4.46 -86.69 5 4 2 59 248.374 4
Hi High (pH 8-9.5) -1.74 2.24 -5.85 4 4 0 58 246.358 4
Mid Mid (pH 6-8) 1.18 2.07 -33.79 4 4 1 58 247.366 4

Activity (Go SEA)

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