UCSF

ZINC23320440

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 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) 2.49 6.15 -13.11 0 7 0 72 428.439 6
Mid Mid (pH 6-8) 2.49 8.41 -55.4 1 7 1 73 429.447 6

Activity (Go SEA)

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