UCSF

ZINC43260371

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 3.73 9.01 -117.01 4 2 2 32 367.356 6
Hi High (pH 8-9.5) 3.73 6.78 -3.17 2 2 0 29 365.34 6
Mid Mid (pH 6-8) 3.73 7.09 -49.49 3 2 1 31 366.348 6

Activity (Go SEA)

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