UCSF

ZINC26577007

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 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) 0.28 6.87 -277.95 8 4 4 66 288.524 15
Hi High (pH 8-9.5) 0.28 4.03 -91.2 6 4 2 57 286.508 15
Hi High (pH 8-9.5) 0.28 4.07 -88.42 6 4 2 57 286.508 15
Mid Mid (pH 6-8) 0.28 5.44 -166.11 7 4 3 62 287.516 15
Mid Mid (pH 6-8) 0.28 5.52 -164.76 7 4 3 62 287.516 15

Activity (Go SEA)

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