UCSF

ZINC36983923

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 1.74 5.43 -81.69 2 6 0 91 314.407 9
Hi High (pH 8-9.5) 1.74 3.29 -59.33 1 6 -1 90 313.399 9

Activity (Go SEA)

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