UCSF

ZINC36278946

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 18 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) 0.13 2.93 -44.77 3 7 1 91 252.298 5
Lo Low (pH 4.5-6) 0.13 5.18 -121.48 4 7 2 92 253.306 5
Lo Low (pH 4.5-6) 0.13 3.84 -40.02 3 7 1 87 252.298 5

Activity (Go SEA)

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