UCSF

ZINC26510377

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) 1.47 6.11 -48.05 3 2 1 31 245.39 8
Hi High (pH 8-9.5) 1.47 5.78 -1.83 2 2 0 29 244.382 8
Mid Mid (pH 6-8) 1.47 8.43 -123.2 4 2 2 32 246.398 8
Mid Mid (pH 6-8) 1.47 8.15 -34.71 3 2 1 30 245.39 8

Activity (Go SEA)

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