UCSF

ZINC20219735

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 38 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) 3.74 9.21 -61.66 0 8 -1 91 519.618 8
Mid Mid (pH 6-8) 3.74 11.47 -80.04 1 8 0 93 520.626 8

Activity (Go SEA)

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