UCSF

ZINC37790747

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 0.49 6.04 -21.57 1 5 0 64 237.303 4
Hi High (pH 8-9.5) 0.50 5 -53.36 1 5 -1 70 236.295 4

Activity (Go SEA)

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