UCSF

ZINC23382876

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 21 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) -0.16 4.87 -55.91 1 6 1 48 297.423 4
Mid Mid (pH 6-8) -0.16 7.22 -102.3 2 6 2 49 298.431 4
Mid Mid (pH 6-8) -0.16 2.52 -18.53 0 6 0 47 296.415 4

Activity (Go SEA)

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