UCSF

ZINC20944833

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 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) 0.32 1.96 -15.49 1 9 0 97 374.445 5
Mid Mid (pH 6-8) 0.32 4.31 -54.03 2 9 1 98 375.453 5

Activity (Go SEA)

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