UCSF

ZINC09312177

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 36 No

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) 3.44 12.91 -80.96 1 7 0 87 485.584 10
Mid Mid (pH 6-8) 2.86 0.93 -49.19 1 7 1 81 486.592 10
Lo Low (pH 4.5-6) 3.89 1.36 -111.93 3 7 2 85 487.6 9
Lo Low (pH 4.5-6) 2.86 1.04 -102.74 2 7 2 82 487.6 10

Activity (Go SEA)

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