UCSF

ZINC21882343

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 27 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) 0.74 6.34 -100.01 2 8 0 97 374.441 5
Hi High (pH 8-9.5) 0.74 4.11 -70.03 1 8 -1 96 373.433 5

Activity (Go SEA)

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