UCSF

ZINC36880132

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 1.32 3.71 -15.23 2 5 0 76 263.293 3
Hi High (pH 8-9.5) 1.32 4.78 -58.63 1 5 -1 78 262.285 3

Activity (Go SEA)

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