UCSF

ZINC23908001

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2009 32 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) 4.06 11.33 -43.22 2 7 1 70 435.548 7
Hi High (pH 8-9.5) 4.06 9.11 -15.51 1 7 0 69 434.54 7

Activity (Go SEA)

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