UCSF

ZINC38098246

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2009 17 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) 0.90 4.91 -83.48 4 4 2 50 241.379 3
Hi High (pH 8-9.5) 0.90 3.58 -39.15 3 4 1 46 240.371 3

Activity (Go SEA)

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