UCSF

ZINC21662781

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 33 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) 3.46 6.59 -19.54 2 7 0 84 446.551 8
Mid Mid (pH 6-8) 3.46 8.92 -57.56 3 7 1 85 447.559 8

Activity (Go SEA)

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