UCSF

ZINC12462884

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 29 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) 7.57 14.95 -9.52 0 3 0 34 463.4 3
Lo Low (pH 4.5-6) 7.57 13.55 -26.71 1 3 1 36 464.408 3
Lo Low (pH 4.5-6) 7.57 15.47 -23.47 1 3 1 36 464.408 3

Activity (Go SEA)

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