UCSF

ZINC42324435

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 2.50 6.14 -13.99 0 2 0 27 224.254 4
Mid Mid (pH 6-8) 2.50 8.19 -51.37 1 2 1 28 225.262 4

Activity (Go SEA)

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