UCSF

ZINC20365673

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) 1.44 6.14 -89.93 4 5 2 59 303.491 13
Hi High (pH 8-9.5) 1.44 4.96 -31.07 3 5 1 55 302.483 13

Activity (Go SEA)

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