UCSF

ZINC43259042

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) 3.03 3.01 -43.12 4 3 1 51 362.357 6
Hi High (pH 8-9.5) 3.03 2.71 -3.41 3 3 0 49 361.349 6
Mid Mid (pH 6-8) 3.03 4.47 -32.98 4 3 1 51 362.357 6
Mid Mid (pH 6-8) 3.03 4.77 -113.6 5 3 2 52 363.365 6

Activity (Go SEA)

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