UCSF

ZINC21886125

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 4.36 11.28 -16.03 0 5 0 49 366.509 6
Mid Mid (pH 6-8) 4.36 11.63 -40.68 1 5 1 51 367.517 6

Activity (Go SEA)

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