UCSF

ZINC34681598

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.50 10.98 -46.56 2 8 1 77 463.558 9
Mid Mid (pH 6-8) 3.50 8.74 -16.53 1 8 0 76 462.55 9
Mid Mid (pH 6-8) 3.50 9.06 -42.39 2 8 1 77 463.558 9
Lo Low (pH 4.5-6) 3.50 11.32 -106.16 3 8 2 79 464.566 9

Activity (Go SEA)

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