UCSF

ZINC52163990

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 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) 3.42 8.56 -37.93 2 5 1 52 343.447 10
Hi High (pH 8-9.5) 3.42 6.3 -11.16 1 5 0 51 342.439 10

Activity (Go SEA)

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