UCSF

ZINC13282475

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 22 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) 1.19 5.89 -42.12 2 5 1 59 295.366 4
Lo Low (pH 4.5-6) 1.19 6.29 -87.65 3 5 2 61 296.374 4

Activity (Go SEA)

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