UCSF

ZINC30903989

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 32 No

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) 1.74 6.48 -20.54 1 8 0 84 433.464 3
Ref Reference (pH 7) 1.74 6.24 -17.82 1 8 0 84 433.464 3
Mid Mid (pH 6-8) 1.74 8.66 -61.08 2 8 1 85 434.472 3
Mid Mid (pH 6-8) 1.74 8.67 -63.84 2 8 1 85 434.472 3

Activity (Go SEA)

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