UCSF

ZINC02247337

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2004 23 No

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) 6.04 9.52 -8.35 1 3 0 45 367.232 2
Hi High (pH 8-9.5) 6.50 7.97 -42.98 0 3 -1 48 366.224 2

Activity (Go SEA)

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