UCSF

ZINC42989590

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 27 No

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) 7.25 8.95 -42.62 5 3 1 68 378.621 17
Hi High (pH 8-9.5) 7.25 8.63 -5.14 4 3 0 66 377.613 17

Activity (Go SEA)

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