UCSF

ZINC18022178

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 29 No

CAS Number: [3176-79-2]

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) 8.02 10.53 -12.2 1 5 0 70 380.451 4

Activity (Go SEA)

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