UCSF

ZINC11616368

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 22 Yes

Other Names:

MFCD00599550

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) 3.41 6.2 -43.65 4 3 1 57 300.422 7
Hi High (pH 8-9.5) 3.41 5.53 -5.51 3 3 0 52 299.414 7

Activity (Go SEA)

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