UCSF

ZINC32587301

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 22 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) 3.59 10.69 -88.97 2 3 2 22 297.446 3
Mid Mid (pH 6-8) 3.59 10.44 -33.33 1 3 1 21 296.438 3

Activity (Go SEA)

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