UCSF

ZINC01576406

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 23 Yes

CAS Number: 21829-22-1

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) 2.57 -3 -10.85 3 6 0 91 336.775 7

Activity (Go SEA)

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