UCSF

ZINC34319966

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 13 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) -1.78 -1.69 -10.09 4 4 0 78 180.207 3
Mid Mid (pH 6-8) -1.78 -1.37 -46.87 5 4 1 80 181.215 3

Activity (Go SEA)

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