UCSF

ZINC21856325

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 35 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) 3.17 9.3 -41.81 2 8 1 71 482.649 6
Mid Mid (pH 6-8) 3.17 9.16 -44.32 2 8 1 71 482.649 6
Mid Mid (pH 6-8) 3.17 6.84 -10.02 1 8 0 70 481.641 6

Activity (Go SEA)

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