UCSF

ZINC36226481

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.31 7.15 -22.69 4 3 1 52 258.389 2
Hi High (pH 8-9.5) 3.31 7.06 -4.09 3 3 0 51 257.381 2

Activity (Go SEA)

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