UCSF

ZINC21524522

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 31 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) 5.25 14.12 -16.22 0 5 0 47 419.569 9
Mid Mid (pH 6-8) 5.25 14.51 -43.28 1 5 1 49 420.577 9

Activity (Go SEA)

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