UCSF

ZINC42914540

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 1.40 7.1 -121.12 4 4 2 52 293.455 7
Hi High (pH 8-9.5) 1.40 4.84 -41.26 3 4 1 51 292.447 7
Mid Mid (pH 6-8) 1.40 6.78 -32.59 3 4 1 51 292.447 7

Activity (Go SEA)

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