UCSF

ZINC28539363

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 32 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) 4.95 10.82 -22.87 1 6 0 81 437.528 5
Mid Mid (pH 6-8) 5.02 9.91 -50.91 0 6 -1 87 436.52 5

Activity (Go SEA)

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