UCSF

ZINC43248713

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.01 1.91 -54.84 4 4 1 60 282.433 4
Hi High (pH 8-9.5) 1.01 1.65 -9.82 3 4 0 58 281.425 4
Mid Mid (pH 6-8) 1.01 3.73 -27.53 4 4 1 60 282.433 4
Lo Low (pH 4.5-6) 1.01 4.55 -102.98 5 4 2 61 283.441 4

Activity (Go SEA)

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