UCSF

ZINC36777281

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.36 6.4 -114.82 4 3 2 45 249.402 4
Mid Mid (pH 6-8) 1.36 5.08 -93.98 4 3 2 45 249.402 4
Mid Mid (pH 6-8) 1.36 5 -47.73 3 3 1 44 248.394 4

Activity (Go SEA)

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