UCSF

ZINC36159986

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 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) 0.19 0.45 -59.98 3 4 1 65 261.411 2
Lo Low (pH 4.5-6) 0.19 1.97 -138.79 4 4 2 66 262.419 2

Activity (Go SEA)

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