UCSF

ZINC21023503

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 3.56 8.59 -123.66 4 2 2 32 262.441 4
Hi High (pH 8-9.5) 3.56 8.17 -27.52 3 2 1 30 261.433 4
Hi High (pH 8-9.5) 3.56 7.42 -44.84 3 2 1 31 261.433 4

Activity (Go SEA)

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