UCSF

ZINC05440864

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 26 Yes

CAS Number: 1330-86-5

Other Names:

MFCD00048387

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) 6.84 15.97 -7.04 0 4 0 53 370.574 19

Activity (Go SEA)

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