UCSF

ZINC43428093

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 0.90 1.56 -39.3 2 4 1 32 254.398 3
Mid Mid (pH 6-8) 0.90 3.77 -91.14 3 4 2 34 255.406 3

Activity (Go SEA)

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