UCSF

ZINC43978004

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.32 6.04 -32.41 2 3 1 20 268.469 4
Hi High (pH 8-9.5) 2.32 6.93 -112.01 3 3 2 24 269.477 4
Mid Mid (pH 6-8) 2.32 8.3 -100.95 3 3 2 21 269.477 4
Lo Low (pH 4.5-6) 2.32 7.23 -80.58 3 3 2 24 269.477 4

Activity (Go SEA)

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