UCSF

ZINC42450628

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 2.58 4.14 -39.69 3 3 1 40 243.415 6
Mid Mid (pH 6-8) 2.58 5.64 -112.2 4 3 2 41 244.423 6

Activity (Go SEA)

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