UCSF

ZINC13425507

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 26 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) 2.99 10.97 -11.17 2 7 0 85 355.442 8
Mid Mid (pH 6-8) 2.99 11.39 -41.09 3 7 1 86 356.45 8

Activity (Go SEA)

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