UCSF

ZINC04935082

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 18 Yes

Other Names:

MFCD07395201

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) 3.10 7.93 -37.28 2 2 1 29 243.374 3
Lo Low (pH 4.5-6) 3.10 8.2 -112.58 3 2 2 31 244.382 3

Activity (Go SEA)

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