UCSF

ZINC05977968

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 28 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) 3.57 10.15 -15.82 1 6 0 75 379.46 8
Hi High (pH 8-9.5) 4.02 9.02 -53 0 6 -1 78 378.452 8

Activity (Go SEA)

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