UCSF

ZINC21784635

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 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) 0.99 4.7 -26.58 4 9 0 136 428.47 8
Mid Mid (pH 6-8) 1.45 3.58 -54.29 3 9 -1 140 427.462 8

Activity (Go SEA)

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