UCSF

ZINC06795461

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 30 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) 5.34 15.18 -38.5 2 4 0 62 398.506 7
Hi High (pH 8-9.5) 5.34 13.98 -52.06 1 4 -1 57 397.498 7

Activity (Go SEA)

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