UCSF

ZINC37989026

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 0.90 6.92 -52.4 2 6 1 66 299.301 7
Mid Mid (pH 6-8) 0.90 5.52 -17.97 1 6 0 61 298.293 7

Activity (Go SEA)

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