UCSF

ZINC19928283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 33 No

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) 1.88 7.46 -71.29 1 8 0 102 475.542 8
Hi High (pH 8-9.5) 1.88 4.92 -56.41 0 8 -1 101 474.534 8

Activity (Go SEA)

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