UCSF

ZINC09360454

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 34 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) 3.60 7.96 -59.38 0 7 -1 82 483.61 10
Mid Mid (pH 6-8) 4.05 9.93 -46.55 2 7 1 81 485.626 9
Mid Mid (pH 6-8) 3.60 10.3 -71.96 1 7 0 83 484.618 10

Activity (Go SEA)

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