UCSF

ZINC04718513

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 24 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) 1.66 2.68 -9.81 3 6 0 101 315.336 2
Ref Reference (pH 7) 1.66 3.3 -10.26 3 6 0 101 315.336 2
Lo Low (pH 4.5-6) 1.66 3.73 -53.37 4 6 1 102 316.344 2

Activity (Go SEA)

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