UCSF

ZINC19502069

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 26 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) 2.18 6.22 -11.9 1 7 0 85 360.41 6
Mid Mid (pH 6-8) 2.18 7.02 -49.21 2 7 1 90 361.418 6

Activity (Go SEA)

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