UCSF

ZINC49336817

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 19 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) 0.81 4.89 -39.52 3 5 1 58 260.365 7
Mid Mid (pH 6-8) 0.81 2.91 -40.31 3 5 1 61 260.365 7
Lo Low (pH 4.5-6) 0.81 5.23 -112.58 4 5 2 63 261.373 7

Activity (Go SEA)

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