UCSF

ZINC00288021

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 Yes

Other Names:

MFCD02006394

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) 1.98 2.64 -16.14 2 6 0 85 320.37 5
Hi High (pH 8-9.5) 1.98 2.66 -55.26 1 6 -1 87 319.362 5

Activity (Go SEA)

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