UCSF

ZINC05820996

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 23 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) 7.46 11.95 -47.35 1 3 -1 60 327.529 18
Lo Low (pH 4.5-6) 7.46 10.83 -8.97 2 3 0 58 328.537 18

Activity (Go SEA)

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