UCSF

ZINC20102713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 2.97 5.55 -62.42 0 8 -1 91 485.944 8
Mid Mid (pH 6-8) 2.97 7.89 -76.76 1 8 0 93 486.952 8

Activity (Go SEA)

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