UCSF

ZINC08792257

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 37 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) 5.16 -0.68 -22.96 1 7 0 81 491.547 7
Lo Low (pH 4.5-6) 5.16 -0.51 -54.27 2 7 1 83 492.555 7

Activity (Go SEA)

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