UCSF

ZINC44677278

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 1.97 5.27 -8.32 3 3 0 55 266.344 5
Mid Mid (pH 6-8) 1.97 6.46 -32.37 4 3 1 60 267.352 5

Activity (Go SEA)

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