UCSF

ZINC32597983

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.39 8.56 -20.48 0 4 0 48 293.351 2
Lo Low (pH 4.5-6) 2.39 8.97 -45.59 1 4 1 49 294.359 2

Activity (Go SEA)

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