UCSF

ZINC20127123

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.53 6.21 -42.83 2 4 1 46 263.361 6
Hi High (pH 8-9.5) 1.53 4.79 -9.58 1 4 0 42 262.353 6

Activity (Go SEA)

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