UCSF

ZINC34991954

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.76 9.2 -34.35 2 2 1 26 274.359 6
Hi High (pH 8-9.5) 3.76 7.81 -5.22 1 2 0 21 273.351 6

Activity (Go SEA)

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