UCSF

ZINC33740386

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 38 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) 2.48 10.09 -21.01 0 9 0 85 519.598 11
Mid Mid (pH 6-8) 2.48 12.43 -69.66 1 9 1 86 520.606 11

Activity (Go SEA)

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