UCSF

ZINC17147581

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 34 No

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) 3.76 9.79 -77.5 2 7 0 94 466.578 10
Mid Mid (pH 6-8) 3.17 10.16 -48.17 2 7 1 88 467.586 10

Activity (Go SEA)

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