UCSF

ZINC44606632

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 28 Yes

CAS Number: 81846-19-7

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) 4.31 8.66 -50.33 2 5 -1 90 389.512 10

Activity (Go SEA)

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