UCSF

ZINC34365244

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 35 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) 4.72 12.49 -51.74 1 6 1 68 505.689 5
Mid Mid (pH 6-8) 4.72 10.14 -15.16 0 6 0 66 504.681 5

Activity (Go SEA)

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