UCSF

ZINC13283073

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 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) 2.81 5.3 -10.22 1 4 0 63 273.675 1
Lo Low (pH 4.5-6) 2.81 5.57 -46.28 2 4 1 65 274.683 1

Activity (Go SEA)

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