UCSF

ZINC31911583

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 17 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) 1.56 6.55 -51.57 3 3 1 45 232.351 4
Hi High (pH 8-9.5) 1.56 6.3 -7.17 2 3 0 43 231.343 4
Mid Mid (pH 6-8) 1.56 7.01 -106.63 4 3 2 46 233.359 4
Mid Mid (pH 6-8) 1.56 6.55 -25.66 3 3 1 45 232.351 4

Activity (Go SEA)

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