UCSF

ZINC20615407

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 22 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) 4.67 5.56 -9.35 1 6 0 88 430.052 4
Mid Mid (pH 6-8) 4.67 6.91 -10.22 1 6 0 88 430.052 4
Mid Mid (pH 6-8) 4.67 6.34 -29.31 0 6 -1 90 429.044 4
Mid Mid (pH 6-8) 4.67 7.56 -37.85 0 6 -1 90 429.044 4

Activity (Go SEA)

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