UCSF

ZINC38421421

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 21 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) 2.60 1.49 -12.75 3 6 0 87 330.171 5
Hi High (pH 8-9.5) 2.79 -1.16 -43.76 2 6 -1 94 329.163 5

Activity (Go SEA)

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