UCSF

ZINC70515511

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 3.98 7.49 -34.87 3 3 1 40 293.475 11
Lo Low (pH 4.5-6) 3.98 7.54 -90.38 4 3 0 41 294.483 11

Activity (Go SEA)

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