UCSF

ZINC13556713

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 29 No

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) 2.46 5.5 -23.06 0 6 0 76 430.551 5
Mid Mid (pH 6-8) 2.46 7.61 -50.73 1 6 1 78 431.559 5
Mid Mid (pH 6-8) 2.46 8.15 -51.33 1 6 1 78 431.559 5
Lo Low (pH 4.5-6) 2.46 6.9 -51.27 1 6 1 78 431.559 5

Activity (Go SEA)

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