UCSF

ZINC43445513

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 12 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) -0.10 1.57 -43.01 3 4 1 63 176.236 8
Mid Mid (pH 6-8) -0.10 0.23 -6.63 2 4 0 59 175.228 8

Activity (Go SEA)

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