UCSF

ZINC08922577

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 35 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) 1.45 5.48 -60.19 0 9 -1 104 500.597 9
Mid Mid (pH 6-8) 1.90 7.95 -46.73 2 9 1 103 502.613 8
Mid Mid (pH 6-8) 0.87 7.67 -49.12 1 9 1 99 502.613 9
Mid Mid (pH 6-8) 1.45 7.82 -77.37 1 9 0 105 501.605 9

Activity (Go SEA)

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