UCSF

ZINC43976065

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.60 7.8 -36.04 2 4 1 38 303.511 14
Hi High (pH 8-9.5) 3.60 6.66 -0.92 1 4 0 34 302.503 14
Mid Mid (pH 6-8) 3.60 7.5 -27.44 2 4 1 35 303.511 14

Activity (Go SEA)

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