UCSF

ZINC22693781

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 24 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) 3.55 7.23 -8.31 1 4 0 42 332.488 7
Mid Mid (pH 6-8) 3.55 9.29 -43.88 2 4 1 43 333.496 7

Activity (Go SEA)

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