UCSF

ZINC12417413

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 15 Yes

CAS Number: 100817-90-1

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) 1.75 3.78 -14.62 1 4 0 51 222.269 2

Activity (Go SEA)

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