UCSF

ZINC20509654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 21 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) 2.62 6.7 -50.02 3 4 1 55 294.415 9
Hi High (pH 8-9.5) 2.62 6.28 -6.21 2 4 0 54 293.407 9

Activity (Go SEA)

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