UCSF

ZINC25129055

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.88 1.28 -24.19 3 8 0 121 425.532 8
Mid Mid (pH 6-8) 1.88 1.35 -46.02 2 8 -1 124 424.524 8

Activity (Go SEA)

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