UCSF

ZINC25725455

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 17 Yes

CAS Numbers: 290-37-9 , 474334-89-9

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) 2.08 6.33 -42.33 1 4 1 34 235.307 3
Mid Mid (pH 6-8) 2.08 3.87 -6.86 0 4 0 33 234.299 3

Activity (Go SEA)

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