UCSF

ZINC36171486

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.46 10.42 -46.85 0 2 -1 40 245.342 6
Lo Low (pH 4.5-6) 4.46 8.56 -4.06 1 2 0 37 246.35 6

Activity (Go SEA)

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