UCSF

ZINC19515681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) -0.52 3.03 -31.01 4 4 1 68 165.22 2
Mid Mid (pH 6-8) -0.52 3.07 -9.15 3 4 0 66 164.212 2

Activity (Go SEA)

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