UCSF

ZINC41675802

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) 0.24 3.49 -38.82 4 5 1 72 237.327 7
Lo Low (pH 4.5-6) 0.24 3.85 -82.91 5 5 2 74 238.335 7

Activity (Go SEA)

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