UCSF

ZINC60275329

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 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) 1.17 3.44 -187.38 7 4 3 64 285.5 10
Hi High (pH 8-9.5) 1.17 2.09 -87.76 6 4 2 60 284.492 10
Mid Mid (pH 6-8) 1.17 4.24 -186.08 7 4 3 61 285.5 10
Mid Mid (pH 6-8) 1.17 3.06 -94.4 6 4 2 62 284.492 10
Lo Low (pH 4.5-6) 1.17 5.58 -330.74 8 4 4 65 286.508 10

Activity (Go SEA)

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