UCSF

ZINC37235776

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 1.86 5.74 -52.14 3 3 1 46 251.325 6
Hi High (pH 8-9.5) 1.86 4.75 -10.18 2 3 0 41 250.317 6

Activity (Go SEA)

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