UCSF

ZINC23014358

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) 2.31 8.02 -49.62 2 5 1 52 321.441 8
Hi High (pH 8-9.5) 2.31 5.68 -14.54 1 5 0 51 320.433 8

Activity (Go SEA)

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