UCSF

ZINC38001546

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) 2.88 4.04 -45.66 3 4 1 55 287.17 3
Hi High (pH 8-9.5) 2.88 3.64 -4.53 2 4 0 53 286.162 3

Activity (Go SEA)

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