UCSF

ZINC41707021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 1.98 9 -14.5 0 3 0 35 254.333 3
Lo Low (pH 4.5-6) 1.98 9.47 -51.08 1 3 1 36 255.341 3

Activity (Go SEA)

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