UCSF

ZINC37049142

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) -0.34 1.16 -93.34 4 5 2 48 272.437 6
Hi High (pH 8-9.5) -0.34 -1.11 -44.46 3 5 1 47 271.429 6
Mid Mid (pH 6-8) -0.34 0.86 -106.04 4 5 2 48 272.437 6
Lo Low (pH 4.5-6) -0.34 3.14 -169.16 5 5 3 49 273.445 6

Activity (Go SEA)

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