UCSF

ZINC09089651

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 26 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) 5.18 8.37 -8.98 1 5 0 58 367.474 5
Ref Reference (pH 7) 4.69 8.21 -45.52 0 5 -1 57 366.466 6
Lo Low (pH 4.5-6) 4.69 8.73 -15.99 1 5 0 54 367.474 6

Activity (Go SEA)

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