UCSF

ZINC19834696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 0.21 -0.18 -48.3 4 4 1 60 202.322 6
Hi High (pH 8-9.5) 0.21 1.78 -37.66 4 4 1 60 202.322 6
Mid Mid (pH 6-8) 0.21 2.15 -106.76 5 4 2 61 203.33 6

Activity (Go SEA)

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