UCSF

ZINC05099540

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 25 Yes

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) 3.19 -2.45 -15.73 1 5 0 66 362.426 3
Hi High (pH 8-9.5) 3.19 -1.87 -50.69 0 5 -1 68 361.418 3

Activity (Go SEA)

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