UCSF

ZINC16893818

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.05 11.21 -19.82 2 8 0 116 504.641 6
Mid Mid (pH 6-8) 5.05 11.6 -15.16 2 8 0 116 504.641 6
Mid Mid (pH 6-8) 5.51 9.96 -47.53 1 8 -1 120 503.633 6

Activity (Go SEA)

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