UCSF

ZINC03798093

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 29 Yes

CAS Number: 136033-49-3

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) 5.54 5.89 -50.28 1 5 1 55 405.603 14

Activity (Go SEA)

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