UCSF

ZINC37979761

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 0.67 2.16 -47.08 4 6 1 90 332.211 4
Hi High (pH 8-9.5) 0.67 -0.03 -11.81 3 6 0 88 331.203 4

Activity (Go SEA)

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