UCSF

ZINC57291972

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 28 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) 6.06 11.44 -28.65 1 5 1 66 408.528 4
Mid Mid (pH 6-8) 6.06 10.93 -17.56 0 5 0 64 407.52 4

Activity (Go SEA)

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