UCSF

ZINC34991099

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 1.37 4.08 -49.13 2 4 1 53 234.323 7
Mid Mid (pH 6-8) 1.37 5.2 -41.46 2 4 1 49 234.323 7

Activity (Go SEA)

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