UCSF

ZINC40421188

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) 1.82 7.21 -105.34 3 3 2 34 263.41 6
Hi High (pH 8-9.5) 1.82 5.31 -4.52 1 3 0 28 261.394 6
Mid Mid (pH 6-8) 1.82 5.84 -34.74 2 3 1 29 262.402 6

Activity (Go SEA)

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