UCSF

ZINC20505424

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 3.49 5.41 -46.65 4 3 1 57 310.632 4
Hi High (pH 8-9.5) 3.49 5.12 -5.47 3 3 0 55 309.624 4

Activity (Go SEA)

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