UCSF

ZINC43411998

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 No

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) 1.51 5.4 -83.99 3 3 2 30 217.382 4
Hi High (pH 8-9.5) 1.50 3.08 -24.23 2 3 1 29 216.374 3
Mid Mid (pH 6-8) 1.51 5.43 -86.89 3 3 2 30 217.382 3
Mid Mid (pH 6-8) 1.51 4.63 -27.32 2 3 1 29 216.374 3

Activity (Go SEA)

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