UCSF

ZINC43416434

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 2.98 9.12 -51.99 1 3 1 52 248.394 5
Mid Mid (pH 6-8) 2.98 6.9 -11.19 0 3 0 51 247.386 5

Activity (Go SEA)

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