UCSF

ZINC06894415

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 24 Yes

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) 3.67 8.53 -48.95 3 5 0 82 389.249 6
Mid Mid (pH 6-8) 3.67 7.17 -51.53 2 5 -1 77 388.241 6

Activity (Go SEA)

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