UCSF

ZINC21800279

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 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) 3.44 10.64 -57.73 2 6 1 61 419.53 5
Mid Mid (pH 6-8) 3.44 8.26 -17.59 1 6 0 59 418.522 5
Mid Mid (pH 6-8) 3.44 8.8 -36.43 2 6 1 61 419.53 5

Activity (Go SEA)

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