UCSF

ZINC43916181

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 13 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) 1.15 2.44 -34.43 2 3 1 29 189.323 7
Hi High (pH 8-9.5) 1.15 1.29 -2.23 1 3 0 24 188.315 7
Mid Mid (pH 6-8) 1.15 3.14 -29.9 2 3 1 26 189.323 7

Activity (Go SEA)

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