UCSF

ZINC19834746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 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) 0.42 4.04 -81.53 4 4 2 49 220.32 5
Mid Mid (pH 6-8) 0.42 3.64 -49.58 3 4 1 48 219.312 5
Lo Low (pH 4.5-6) 0.42 6.03 -107.27 4 4 2 49 220.32 5

Activity (Go SEA)

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