UCSF

ZINC43247923

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 3.71 5.82 -38.25 3 2 1 31 269.478 7
Hi High (pH 8-9.5) 3.71 5.51 -1.89 2 2 0 29 268.47 7
Mid Mid (pH 6-8) 3.71 6.97 -30.17 3 2 1 30 269.478 7
Mid Mid (pH 6-8) 3.71 7.26 -104.66 4 2 2 32 270.486 7

Activity (Go SEA)

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