UCSF

ZINC37086364

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 4.08 7.65 -35.15 3 2 1 37 258.385 3
Hi High (pH 8-9.5) 4.08 8.35 -27.23 2 2 0 40 257.377 3

Activity (Go SEA)

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