UCSF

ZINC02165920

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 12 Yes

CAS Number: 3459-80-1

Other Names:

MFCD00026280

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) 3.08 1.38 -3.11 0 1 0 9 164.248 3

Activity (Go SEA)

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