UCSF

ZINC43240858

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.22 2.29 -39.65 3 4 1 49 287.449 9
Hi High (pH 8-9.5) 1.22 1.95 -3.63 2 4 0 48 286.441 9
Lo Low (pH 4.5-6) 1.22 4.06 -101.29 4 4 2 51 288.457 9

Activity (Go SEA)

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