UCSF

ZINC44677370

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) -0.12 1.7 -54.02 4 5 1 83 301.432 9
Hi High (pH 8-9.5) -0.12 1.34 -10.34 3 5 0 81 300.424 9

Activity (Go SEA)

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