UCSF

ZINC37184150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) -0.35 4.01 -42.26 2 4 1 40 248.35 4
Mid Mid (pH 6-8) -0.35 5.29 -39.35 2 4 1 37 248.35 4

Activity (Go SEA)

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