UCSF

ZINC20196636

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) 2.67 2.04 -29.21 3 3 0 60 264.152 4
Mid Mid (pH 6-8) 2.67 1.38 -39.06 4 3 1 57 265.16 4

Activity (Go SEA)

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