UCSF

ZINC36353179

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 28 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) 3.26 5.7 -13.28 1 7 0 89 390.834 2
Ref Reference (pH 7) 3.08 8.42 -12.21 1 7 0 86 390.834 2
Lo Low (pH 4.5-6) 3.26 6.13 -45.49 2 7 1 90 391.842 2
Lo Low (pH 4.5-6) 3.08 8.85 -45.97 2 7 1 87 391.842 2

Activity (Go SEA)

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