UCSF

ZINC37038624

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) -0.30 3.63 -50.89 3 5 1 64 277.392 4
Mid Mid (pH 6-8) -0.30 5.42 -110.92 4 5 2 65 278.4 4

Activity (Go SEA)

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