UCSF

ZINC09707405

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 30 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) 3.62 -2 -14.49 1 6 0 81 427.432 4
Hi High (pH 8-9.5) 3.62 -1.42 -46.15 0 6 -1 83 426.424 4

Activity (Go SEA)

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