UCSF

ZINC13282632

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 16 No

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) 1.74 -0.98 -17.57 1 5 0 68 244.316 7
Lo Low (pH 4.5-6) 1.74 -0.27 -42.61 2 5 1 70 245.324 7

Activity (Go SEA)

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