UCSF

ZINC03337433

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 28 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) 2.55 -5.56 -17.16 2 8 0 118 429.426 6
Hi High (pH 8-9.5) 2.55 -4.98 -42.35 1 8 -1 120 428.418 6
Hi High (pH 8-9.5) 2.55 -4.42 -91.42 0 8 -2 122 427.41 6
Hi High (pH 8-9.5) 2.55 -5 -46.44 1 8 -1 120 428.418 6

Activity (Go SEA)

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