UCSF

ZINC20941803

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 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) 0.85 6.74 -66.63 2 9 1 98 411.486 7
Mid Mid (pH 6-8) 0.85 4.36 -24.87 1 9 0 97 410.478 7

Activity (Go SEA)

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