UCSF

ZINC41666319

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 0.86 0.95 -11.14 2 6 0 90 290.366 4
Lo Low (pH 4.5-6) 0.86 0.8 -51 3 6 1 91 291.374 4

Activity (Go SEA)

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