UCSF

ZINC43905454

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 2.23 7.99 -129.35 3 4 2 40 280.412 8
Hi High (pH 8-9.5) 2.23 6.06 -41.59 2 4 1 38 279.404 8
Mid Mid (pH 6-8) 2.23 6.83 -42.35 2 4 1 35 279.404 8

Activity (Go SEA)

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