UCSF

ZINC36128090

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 28 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) 2.67 10.79 -49.58 1 7 1 55 384.504 5
Mid Mid (pH 6-8) 2.67 10.94 -46.65 1 7 1 55 384.504 5
Mid Mid (pH 6-8) 2.67 8.66 -11.89 0 7 0 54 383.496 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.