UCSF

ZINC34989169

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 4.34 10.03 -41.09 1 2 1 22 301.237 3
Mid Mid (pH 6-8) 4.34 7.87 -6.82 0 2 0 20 300.229 3

Activity (Go SEA)

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