UCSF

ZINC02564633

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

CAS Number: 6006-06-0

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) 5.02 9.49 -45.26 0 2 -1 40 211.325 11
Lo Low (pH 4.5-6) 5.02 8.37 -6.81 1 2 0 37 212.333 11

Activity (Go SEA)

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