UCSF

ZINC20365671

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 5.89 -100.01 4 5 2 59 303.491 13
Hi High (pH 8-9.5) 1.44 4.75 -41.94 3 5 1 55 302.483 13

Activity (Go SEA)

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