UCSF

ZINC33812570

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 1.23 14.14 -110.65 1 9 0 116 489.623 7
Mid Mid (pH 6-8) 1.23 9.28 -64.43 0 9 -1 114 488.615 7

Activity (Go SEA)

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