UCSF

ZINC40186888

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 6.83 14.55 -10.73 1 4 0 47 445.994 7
Lo Low (pH 4.5-6) 6.83 15.1 -34.26 2 4 1 48 447.002 7

Activity (Go SEA)

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