UCSF

ZINC00243215

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 24 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) 2.17 7.81 -60.58 2 6 -1 98 325.344 6
Lo Low (pH 4.5-6) 2.17 5.84 -20.05 3 6 0 95 326.352 6

Activity (Go SEA)

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