UCSF

ZINC13339034

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 25 Yes

CAS Numbers: 211105-29-2 , 59894-05-2

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) 2.87 6.59 -55.32 2 5 -1 98 351.463 12

Activity (Go SEA)

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