UCSF

ZINC36382358

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 31 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) 6.53 15.34 -17.08 1 4 0 46 409.533 5
Mid Mid (pH 6-8) 6.53 15.74 -31.36 2 4 1 48 410.541 5

Activity (Go SEA)

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