UCSF

ZINC36724574

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 25 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) 1.62 3.9 -49.25 4 5 1 76 346.447 12
Hi High (pH 8-9.5) 1.62 2.43 -11.5 3 5 0 71 345.439 12

Activity (Go SEA)

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