UCSF

ZINC20304914

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) 3.01 6.8 -50.98 1 4 -1 69 360.171 7
Lo Low (pH 4.5-6) 3.01 5.68 -14.22 2 4 0 66 361.179 7

Activity (Go SEA)

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