UCSF

ZINC20390056

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 21 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) 2.47 8.5 -42.09 1 6 1 63 294.375 7
Hi High (pH 8-9.5) 2.47 6.19 -11.82 0 6 0 62 293.367 7
Mid Mid (pH 6-8) 2.47 8.5 -46.51 1 6 1 63 294.375 7

Activity (Go SEA)

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