UCSF

ZINC00901497

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 11 Yes

CAS Numbers: 154-17-6 , [154-17-6]

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) -1.95 -9.63 -7.03 4 5 0 90 164.157 1

Activity (Go SEA)

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