UCSF

ZINC20081697

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 33 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) 2.59 7.6 -58.1 0 8 -1 99 469.539 9
Mid Mid (pH 6-8) 2.59 9.93 -78.62 1 8 0 100 470.547 9

Activity (Go SEA)

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