UCSF

ZINC21531343

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 29 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) 2.80 7.44 -69.13 2 6 1 71 420.53 5
Mid Mid (pH 6-8) 2.80 8.32 -29.16 1 6 0 70 419.522 5

Activity (Go SEA)

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