UCSF

ZINC49304683

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 16 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) 1.92 5.55 -8.24 1 4 0 45 221.304 4
Mid Mid (pH 6-8) 1.92 6.02 -29.99 2 4 1 46 222.312 4

Activity (Go SEA)

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