UCSF

ZINC23014353

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 23 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) 2.29 8.05 -49.05 2 5 1 52 321.441 8
Hi High (pH 8-9.5) 2.29 5.71 -14.09 1 5 0 51 320.433 8

Activity (Go SEA)

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