UCSF

ZINC37389770

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.14 5.78 -46.34 2 5 1 55 293.387 5
Hi High (pH 8-9.5) 1.14 4.57 -11.58 1 5 0 51 292.379 5

Activity (Go SEA)

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