UCSF

ZINC41681552

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 3.35 6.19 -4.81 2 3 0 38 284.403 2
Lo Low (pH 4.5-6) 3.35 8.25 -39.37 3 3 1 40 285.411 2

Activity (Go SEA)

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