UCSF

ZINC42742270

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 3.15 7.24 -115.91 4 3 2 41 280.456 7
Hi High (pH 8-9.5) 3.15 7.4 -24.88 3 3 1 40 279.448 7
Mid Mid (pH 6-8) 3.15 6.01 -41.5 3 3 1 40 279.448 7

Activity (Go SEA)

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