UCSF

ZINC41147392

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 24 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) 4.38 10.7 -11.03 2 6 0 76 322.368 6
Mid Mid (pH 6-8) 4.38 11.16 -30.88 3 6 1 77 323.376 6

Activity (Go SEA)

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