UCSF

ZINC21814167

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 1.90 6.16 -50.03 1 5 1 59 311.427 5
Mid Mid (pH 6-8) 1.90 3.83 -14.12 0 5 0 58 310.419 5

Activity (Go SEA)

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