UCSF

ZINC21795155

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 4.46 7.53 -28.97 2 3 0 49 326.223 5
Hi High (pH 8-9.5) 4.46 6.29 -39.89 1 3 -1 44 325.215 5
Mid Mid (pH 6-8) 4.46 6.87 -40.01 3 3 1 46 327.231 5

Activity (Go SEA)

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