UCSF

ZINC36957468

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 4.17 5.89 -5.78 2 2 0 32 279.792 4
Hi High (pH 8-9.5) 4.17 6.65 -41.13 1 2 -1 35 278.784 4

Activity (Go SEA)

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