UCSF

ZINC58739540

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2011 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) 2.18 10.19 -48.85 1 6 1 55 346.48 4
Mid Mid (pH 6-8) 2.18 7.83 -12.57 0 6 0 54 345.472 4

Activity (Go SEA)

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