UCSF

ZINC13551272

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 36 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) 4.68 12.24 -58.67 0 8 -1 109 505.572 8
Mid Mid (pH 6-8) 5.13 11.51 -22.77 1 8 0 106 506.58 7

Activity (Go SEA)

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