UCSF

ZINC01572946

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 29 Yes

CAS Number: 13123-00-7

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) 3.14 8.85 -51.66 2 7 -1 108 397.451 10

Activity (Go SEA)

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