UCSF

ZINC33581224

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 35 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) 2.44 10.77 -36.22 0 11 -1 158 493.477 8
Lo Low (pH 4.5-6) 2.44 9.64 -25.4 1 11 0 156 494.485 8

Activity (Go SEA)

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