UCSF

ZINC36358647

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 26 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) 3.28 8.82 -55.84 1 6 -1 91 366.784 3
Ref Reference (pH 7) 3.10 11.49 -57.26 1 6 -1 87 366.784 3
Lo Low (pH 4.5-6) 3.10 11.94 -82.03 2 6 0 88 367.792 3

Activity (Go SEA)

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