UCSF

ZINC19677877

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 17 Yes

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) 0.82 3.4 -47.08 2 4 1 40 240.371 3
Mid Mid (pH 6-8) 0.82 4.2 -45.26 2 4 1 37 240.371 3
Mid Mid (pH 6-8) 0.82 1.98 -7.22 1 4 0 36 239.363 3
Lo Low (pH 4.5-6) 0.82 5.62 -114.86 3 4 2 41 241.379 3

Activity (Go SEA)

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