UCSF

ZINC08739375

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 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) 2.71 -3.61 -55.63 4 7 1 94 458.586 6
Mid Mid (pH 6-8) 2.71 -3.39 -119.9 5 7 2 95 459.594 6

Activity (Go SEA)

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