UCSF

ZINC34691323

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 35 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) 2.05 5.36 -15.06 1 9 0 90 496.645 13
Mid Mid (pH 6-8) 2.05 7.49 -54.32 2 9 1 91 497.653 13

Activity (Go SEA)

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