UCSF

ZINC21131395

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 27 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) 1.83 6.99 -49.25 2 7 1 68 371.461 6
Mid Mid (pH 6-8) 1.83 4.52 -17.36 1 7 0 67 370.453 6

Activity (Go SEA)

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