UCSF

ZINC38002080

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 3.45 5.32 -48.84 2 3 1 39 328.255 5
Hi High (pH 8-9.5) 3.45 4.12 -6.6 1 3 0 34 327.247 5

Activity (Go SEA)

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