UCSF

ZINC08817906

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 37 No

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) 5.00 11.71 -56.85 0 8 -1 109 517.514 7
Mid Mid (pH 6-8) 4.42 1.16 -15.55 0 8 0 102 518.522 7
Lo Low (pH 4.5-6) 5.00 10.89 -19.44 1 8 0 106 518.522 7

Activity (Go SEA)

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