UCSF

ZINC37172656

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 3.10 4.99 -39.24 3 2 1 31 273.803 6
Mid Mid (pH 6-8) 3.10 8.11 -108.77 4 2 2 32 274.811 6

Activity (Go SEA)

Rings

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