UCSF

ZINC01665753

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

CAS Number: 612-00-0

Other Names:

MFCD00055631

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) 3.88 9.17 -2.91 0 0 0 0 182.266 2

Activity (Go SEA)

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