UCSF

ZINC41871200

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 24 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) 2.24 4.68 -15.52 1 6 0 68 331.416 6
Mid Mid (pH 6-8) 2.24 6.91 -54.79 2 6 1 69 332.424 6

Activity (Go SEA)

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