UCSF

ZINC20252909

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 12 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) 1.82 4.58 -37.24 2 2 1 29 185.316 5
Hi High (pH 8-9.5) 1.82 3.16 -3.64 1 2 0 25 184.308 5

Activity (Go SEA)

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