UCSF

ZINC41053719

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 12 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) -0.23 1.75 -88.07 4 3 2 35 173.304 2
Mid Mid (pH 6-8) -0.23 1.16 -107.08 4 3 2 35 173.304 2
Mid Mid (pH 6-8) -0.23 -0.61 -41.35 3 3 1 34 172.296 2

Activity (Go SEA)

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