UCSF

ZINC41042135

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 14 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) 0.59 2.62 -94.32 4 3 2 35 201.358 3
Mid Mid (pH 6-8) 0.59 2.28 -109.07 4 3 2 35 201.358 3
Mid Mid (pH 6-8) 0.59 1.62 -39.23 3 3 1 34 200.35 3

Activity (Go SEA)

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