UCSF

ZINC38005251

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 No

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) 3.62 5.36 -23.01 3 4 0 72 432.308 5
Hi High (pH 8-9.5) 3.62 5.52 -54.46 2 4 -1 74 431.3 5

Activity (Go SEA)

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