UCSF

ZINC02247672

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2004 33 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) 5.91 11.69 -16.82 0 5 0 47 439.559 6
Ref Reference (pH 7) 5.91 12.21 -13.38 0 5 0 47 439.559 6
Mid Mid (pH 6-8) 5.91 14.52 -47.15 1 5 1 48 440.567 6
Mid Mid (pH 6-8) 5.91 13.99 -47.91 1 5 1 48 440.567 6

Activity (Go SEA)

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