UCSF

ZINC20500642

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.33 6.47 -9.11 1 4 0 49 283.375 2
Mid Mid (pH 6-8) 2.33 8.65 -51.51 2 4 1 50 284.383 2
Mid Mid (pH 6-8) 2.79 6.48 -44.43 1 4 0 53 283.375 2

Activity (Go SEA)

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