UCSF

ZINC37089796

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.33 8.75 -50.38 2 3 1 50 285.342 5
Hi High (pH 8-9.5) 3.33 7.74 -8.23 1 3 0 45 284.334 5

Activity (Go SEA)

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