UCSF

ZINC08964454

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 25 No

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) 5.00 6.88 -43.49 0 5 -1 63 418.292 5
Lo Low (pH 4.5-6) 5.00 7.71 -12.14 1 5 0 60 419.3 5

Activity (Go SEA)

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