UCSF

ZINC35517927

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 31 No

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) 5.46 9.88 -15.24 1 8 0 113 435.461 6
Mid Mid (pH 6-8) 5.72 10.68 -43.57 0 8 -1 112 434.453 7
Mid Mid (pH 6-8) 5.92 8.05 -51.78 0 8 -1 117 434.453 6
Lo Low (pH 4.5-6) 5.72 10.2 -46.67 0 8 -1 112 434.453 7

Activity (Go SEA)

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