UCSF

ZINC41674609

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 1.33 6.65 -105.24 4 5 2 61 261.41 10
Hi High (pH 8-9.5) 1.33 2.06 -3.59 2 5 0 59 259.394 10
Mid Mid (pH 6-8) 1.33 4.9 -100.2 4 5 2 62 261.41 10
Mid Mid (pH 6-8) 1.33 4.23 -37.62 3 5 1 60 260.402 10

Activity (Go SEA)

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