UCSF

ZINC01683928

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

CAS Number: 1271-94-9

Other Names:

MFCD00143883

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) 2.70 1.63 -4.25 0 1 0 17 140.226 3

Activity (Go SEA)

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