UCSF

ZINC32819984

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.91 7.81 -56.19 2 4 1 46 325.219 5
Hi High (pH 8-9.5) 2.91 5.46 -13.18 1 4 0 45 324.211 5

Activity (Go SEA)

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