UCSF

ZINC03647442

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 26 Yes

Other Names:

MFCD08276781

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) 5.05 9.79 -102.43 0 6 -2 99 356.374 11
Lo Low (pH 4.5-6) 5.05 8.67 -56.76 1 6 -1 96 357.382 11

Activity (Go SEA)

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