UCSF

ZINC33820296

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 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) 7.36 14.74 -43.52 0 2 -1 40 293.471 15
Lo Low (pH 4.5-6) 7.36 12.76 -5.28 1 2 0 37 294.479 15

Activity (Go SEA)

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