UCSF

ZINC48671079

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 3.38 7.43 -4.98 2 4 0 56 262.353 6
Lo Low (pH 4.5-6) 3.38 7.93 -26.3 3 4 0 57 263.361 6

Activity (Go SEA)

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