UCSF

ZINC01167514

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 30 Yes

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) 2.69 -8.98 -21.68 3 8 0 121 445.522 7
Hi High (pH 8-9.5) 2.69 -8.4 -55.08 2 8 -1 123 444.514 7
Hi High (pH 8-9.5) 2.69 -7.82 -104.44 1 8 -2 125 443.506 7
Hi High (pH 8-9.5) 2.69 -8.4 -50.07 2 8 -1 123 444.514 7

Activity (Go SEA)

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