UCSF

ZINC35430586

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 29 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) 4.64 11.69 -10.54 1 5 0 63 409.555 5
Lo Low (pH 4.5-6) 4.64 12.18 -37.34 2 5 1 65 410.563 5

Activity (Go SEA)

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