UCSF

ZINC44880441

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 1.43 2.45 -54.92 4 4 1 74 265.358 5
Mid Mid (pH 6-8) 1.43 2.61 -66.76 3 4 0 76 264.35 5

Activity (Go SEA)

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