UCSF

ZINC37236400

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) -0.94 0 -44.12 3 5 1 60 244.359 6
Mid Mid (pH 6-8) -0.93 1.05 -40.64 3 5 1 57 244.359 6

Activity (Go SEA)

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