UCSF

ZINC04735977

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 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) 2.89 8.82 -12.56 2 7 0 89 415.563 8
Lo Low (pH 4.5-6) 3.14 5.52 -36.4 3 7 1 98 416.571 8

Activity (Go SEA)

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