UCSF

ZINC29318775

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 27 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) 5.61 9.12 -76.72 5 4 2 63 387.955 10
Mid Mid (pH 6-8) 5.61 8.75 -48.61 4 4 1 62 386.947 10

Activity (Go SEA)

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