UCSF

ZINC41672650

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 15 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) 1.75 4.27 -44.72 1 3 -1 52 238.21 5
Mid Mid (pH 6-8) 1.75 5.36 -29.61 2 3 0 57 239.218 5

Activity (Go SEA)

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