UCSF

ZINC40134386

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 27 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) 2.03 10.97 -12.91 1 7 0 74 366.469 4
Lo Low (pH 4.5-6) 2.03 11.42 -40.11 2 7 1 75 367.477 4

Activity (Go SEA)

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