UCSF

ZINC34992634

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 4.23 7.48 -4.5 1 3 0 34 338.245 8
Mid Mid (pH 6-8) 4.23 8.86 -41.41 2 3 1 39 339.253 8

Activity (Go SEA)

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