UCSF

ZINC37097625

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 2.64 5.62 -10.05 1 3 0 41 219.284 4
Hi High (pH 8-9.5) 2.64 6.59 -56.26 0 3 -1 43 218.276 4

Activity (Go SEA)

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