UCSF

ZINC45702191

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) -0.82 0.11 -47.75 3 6 1 76 261.342 9
Hi High (pH 8-9.5) -0.82 -1.24 -7.2 2 6 0 71 260.334 9
Mid Mid (pH 6-8) -0.82 2.37 -111.99 4 6 2 77 262.35 9

Activity (Go SEA)

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