UCSF

ZINC42880317

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 1.66 1.22 -43.75 3 5 1 59 253.322 5
Mid Mid (pH 6-8) 1.66 1.81 -39.83 3 5 1 55 253.322 5
Lo Low (pH 4.5-6) 1.66 3.18 -124.87 4 5 2 60 254.33 5

Activity (Go SEA)

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