UCSF

ZINC34380550

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 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) 3.33 10.25 -13.97 1 7 0 100 368.418 5
Hi High (pH 8-9.5) 3.86 9.98 -38.81 0 7 -1 102 367.41 6
Lo Low (pH 4.5-6) 3.86 11.13 -40.98 2 7 1 101 369.426 6

Activity (Go SEA)

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