UCSF

ZINC37048998

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) -0.18 3.69 -163.34 5 4 3 40 231.408 6
Hi High (pH 8-9.5) -0.18 -0.77 -42.88 3 4 1 37 229.392 6
Mid Mid (pH 6-8) -0.18 1.71 -83.18 4 4 2 39 230.4 6

Activity (Go SEA)

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