UCSF

ZINC04098357

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 32 No

CAS Number: 54081-47-9

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) 0.01 -7.69 -21.02 7 11 0 186 450.396 3
Hi High (pH 8-9.5) 0.01 -6.69 -63.06 6 11 -1 189 449.388 3

Activity (Go SEA)

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