UCSF

ZINC42765051

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 3.28 7.67 -11.61 0 3 0 36 298.308 8
Lo Low (pH 4.5-6) 3.28 9.75 -43.66 1 3 1 37 299.316 8

Activity (Go SEA)

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