UCSF

ZINC08742960

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 23 Yes

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) 3.66 7.26 -20.37 1 5 0 64 329.356 4
Mid Mid (pH 6-8) 3.73 6.36 -46.07 0 5 -1 70 328.348 4

Activity (Go SEA)

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