UCSF

ZINC43894995

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 2.23 5.93 -32.04 2 4 1 35 283.436 5
Hi High (pH 8-9.5) 2.23 3.87 -2.24 1 4 0 34 282.428 5
Mid Mid (pH 6-8) 2.23 4.98 -34.38 2 4 1 38 283.436 5

Activity (Go SEA)

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