UCSF

ZINC00273894

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 23 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) 2.39 4.37 -12.94 2 6 0 89 311.293 3
Hi High (pH 8-9.5) 2.45 3 -51.68 1 6 -1 95 310.285 3
Hi High (pH 8-9.5) 2.39 5.16 -39.52 1 6 -1 92 310.285 3

Activity (Go SEA)

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