UCSF

ZINC04215860

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 22 Yes

CAS Numbers: 544-35-4 , 6114-21-2

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) 7.54 15.26 -4.81 0 2 0 26 308.506 16

Activity (Go SEA)

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