UCSF

ZINC19472208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 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) -0.07 3.83 -52.05 2 5 1 57 254.354 1
Hi High (pH 8-9.5) -0.07 2.57 -15.93 1 5 0 53 253.346 1

Activity (Go SEA)

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