UCSF

ZINC19393080

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 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) 2.24 4.64 -51.29 4 3 1 57 263.267 3
Hi High (pH 8-9.5) 2.24 4.25 -11.42 3 3 0 55 262.259 3

Activity (Go SEA)

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