UCSF

ZINC42914119

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) 1.99 7.65 -130.97 4 3 2 45 289.398 6
Mid Mid (pH 6-8) 1.99 6.18 -49.78 3 3 1 44 288.39 6
Mid Mid (pH 6-8) 1.99 7.35 -44.08 3 3 1 43 288.39 6
Lo Low (pH 4.5-6) 1.99 5.91 -106.24 4 3 2 45 289.398 6

Activity (Go SEA)

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