UCSF

ZINC34681838

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 3.86 12.22 -41.09 2 6 1 53 410.586 6
Mid Mid (pH 6-8) 3.86 12.54 -95.97 3 6 2 54 411.594 6

Activity (Go SEA)

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