UCSF

ZINC20179358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 Yes

CAS Number: N/A

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) 0.40 2.19 -50.52 3 5 1 60 244.359 4
Lo Low (pH 4.5-6) 0.40 4.08 -133.29 4 5 2 62 245.367 4

Activity (Go SEA)

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