UCSF

ZINC19509079

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) 2.82 3.39 -17.36 4 4 0 75 242.278 2
Hi High (pH 8-9.5) 2.82 4.42 -63.33 3 4 -1 78 241.27 2

Activity (Go SEA)

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