UCSF

ZINC00000144

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 18 Yes

CAS Numbers: 36950-96-6 , [36950-96-6]

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) 4.03 1.38 -49.86 0 2 -1 40 237.278 2

Activity (Go SEA)

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