UCSF

ZINC28243180

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 23 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) 4.38 10.6 -87.97 3 3 2 31 307.441 5
Hi High (pH 8-9.5) 4.38 8.07 -25.03 2 3 1 29 306.433 5
Hi High (pH 8-9.5) 4.38 10.3 -52.13 2 3 1 29 306.433 5

Activity (Go SEA)

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