UCSF

ZINC52572286

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 19 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) 2.48 5.42 -24.5 2 4 1 38 275.457 11
Hi High (pH 8-9.5) 2.48 5.34 -0.35 1 4 0 34 274.449 11
Lo Low (pH 4.5-6) 2.48 5.76 -106.85 3 4 2 40 276.465 11

Activity (Go SEA)

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