UCSF

ZINC19474264

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 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) 1.09 0.03 -56.29 4 4 1 74 269.268 5
Hi High (pH 8-9.5) 1.09 -0.36 -10.32 3 4 0 72 268.26 5

Activity (Go SEA)

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