UCSF

ZINC20189321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 27 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) 3.79 4.53 -12.56 2 7 0 93 386.429 5
Mid Mid (pH 6-8) 3.30 3.98 -42.6 1 7 -1 92 385.421 6
Lo Low (pH 4.5-6) 3.30 4.5 -19.06 2 7 0 90 386.429 6

Activity (Go SEA)

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