UCSF

ZINC40749274

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 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) 2.40 4.64 -38.98 3 2 1 31 223.384 1
Mid Mid (pH 6-8) 2.40 6.81 -25.99 3 2 1 30 223.384 1
Mid Mid (pH 6-8) 2.40 6.79 -102.94 4 2 2 32 224.392 1

Activity (Go SEA)

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