UCSF

ZINC35765537

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 21 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) 2.32 6.32 -121.57 4 4 2 51 294.439 7
Hi High (pH 8-9.5) 2.32 5.96 -27.06 3 4 1 49 293.431 7
Mid Mid (pH 6-8) 2.32 4.9 -46.35 3 4 1 49 293.431 7

Activity (Go SEA)

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