UCSF

ZINC36738252

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 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) 2.40 4.62 -13.63 3 4 0 67 270.332 3
Hi High (pH 8-9.5) 2.40 5.55 -59.23 2 4 -1 69 269.324 3

Activity (Go SEA)

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