UCSF

ZINC36988538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 1.54 6.08 -44.74 3 3 1 40 277.432 4
Hi High (pH 8-9.5) 1.54 5.32 -2.67 2 3 0 38 276.424 4
Lo Low (pH 4.5-6) 1.54 7.66 -132.17 4 3 2 41 278.44 4

Activity (Go SEA)

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