UCSF

ZINC42915248

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 1.78 5.36 -56.98 3 3 1 44 288.39 6
Mid Mid (pH 6-8) 1.78 7.26 -140.06 4 3 2 45 289.398 6

Activity (Go SEA)

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