UCSF

ZINC22894818

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.72 10.96 -9.54 0 5 0 49 420.582 4
Mid Mid (pH 6-8) 3.72 12.82 -48 1 5 1 51 421.59 4

Activity (Go SEA)

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