UCSF

ZINC28368432

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 38 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) 6.08 17.56 -14.4 0 5 0 52 508.662 13
Lo Low (pH 4.5-6) 6.08 17.92 -57.54 1 5 1 53 509.67 13

Activity (Go SEA)

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