UCSF

ZINC00421966

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 Yes

Other Names:

MFCD02590041

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) 2.73 8.74 -17.87 1 6 0 73 345.453 6
Hi High (pH 8-9.5) 2.91 7.51 -48.9 0 6 -1 79 344.445 6

Activity (Go SEA)

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