UCSF

ZINC41678704

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 4.09 5.15 -37.09 3 2 1 37 319.288 4
Hi High (pH 8-9.5) 4.09 4.08 -3.17 2 2 0 32 318.28 4

Activity (Go SEA)

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