UCSF

ZINC43262365

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 4.53 7.28 -50.33 3 2 1 31 439.262 6
Hi High (pH 8-9.5) 4.53 6.95 -3.26 2 2 0 29 438.254 6
Mid Mid (pH 6-8) 4.53 8.71 -37.6 3 2 1 30 439.262 6
Mid Mid (pH 6-8) 4.53 9.04 -129.15 4 2 2 32 440.27 6

Activity (Go SEA)

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