UCSF

ZINC20292782

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 39 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) 4.62 13.53 -75.02 1 8 0 93 536.669 13
Mid Mid (pH 6-8) 1.81 8.6 -44.21 2 4 1 43 301.41 4

Activity (Go SEA)

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