UCSF

ZINC39937601

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 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) 6.03 8.46 -14.35 2 9 0 129 441.513 7
Mid Mid (pH 6-8) 6.03 8.56 -48.54 1 9 -1 131 440.505 7

Activity (Go SEA)

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