UCSF

ZINC43895075

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 4.34 10.16 -110.03 3 2 2 21 268.489 7
Hi High (pH 8-9.5) 4.34 8.31 -32.94 2 2 1 20 267.481 7

Activity (Go SEA)

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