UCSF

ZINC37988410

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) 2.08 3.8 -51.55 3 4 1 59 344.254 5
Hi High (pH 8-9.5) 2.08 3.36 -47.03 1 4 -1 57 342.238 5
Mid Mid (pH 6-8) 2.08 2.44 -8.3 2 4 0 54 343.246 5

Activity (Go SEA)

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