UCSF

ZINC30694920

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 19 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) 1.08 1.59 -41.31 1 7 -1 104 266.277 6
Lo Low (pH 4.5-6) 0.62 2.42 -13.22 2 7 0 101 267.285 6

Activity (Go SEA)

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