UCSF

ZINC43897328

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 1.07 5.06 -88.02 3 5 2 43 299.459 3
Hi High (pH 8-9.5) 1.07 4.38 -114.28 3 5 2 43 299.459 3
Hi High (pH 8-9.5) 1.07 3.51 -34.08 2 5 1 38 298.451 3
Lo Low (pH 4.5-6) 1.07 5.91 -96.15 3 5 2 39 299.459 3

Activity (Go SEA)

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