UCSF

ZINC23365019

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 31 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) 3.78 7.93 -29.32 2 7 0 101 462.572 10
Hi High (pH 8-9.5) 3.97 6.89 -61.25 1 7 -1 107 461.564 10

Activity (Go SEA)

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