UCSF

ZINC33760000

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 32 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) 0.90 8 -53.29 0 8 -1 105 430.44 7
Lo Low (pH 4.5-6) 0.90 6.71 -21.41 1 8 0 102 431.448 7

Activity (Go SEA)

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