UCSF

ZINC35240304

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 14 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) 0.06 -0.71 -40.31 3 4 1 49 203.306 4
Hi High (pH 8-9.5) 0.06 -2.16 -3.67 2 4 0 45 202.298 4
Mid Mid (pH 6-8) 0.06 1.27 -102.6 4 4 2 51 204.314 4

Activity (Go SEA)

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