UCSF

ZINC13122139

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 30 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) 1.82 9.58 -68.95 1 7 0 87 409.486 9
Mid Mid (pH 6-8) 1.82 8.76 -46.88 2 7 1 84 410.494 9
Mid Mid (pH 6-8) 1.24 9.46 -57.11 1 7 1 81 410.494 9

Activity (Go SEA)

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