UCSF

ZINC19866811

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 31 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) 3.25 12.26 -84.66 3 5 2 41 428.665 9
Hi High (pH 8-9.5) 3.25 10.04 -48.15 2 5 1 40 427.657 9

Activity (Go SEA)

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