UCSF

ZINC67805055

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 29 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) 3.14 11.25 -46.91 2 6 1 63 394.543 6
Mid Mid (pH 6-8) 3.14 11.58 -73.87 3 6 2 64 395.551 6

Activity (Go SEA)

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