UCSF

ZINC44517874

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 1.10 5.03 -77.75 4 3 2 33 227.396 4
Mid Mid (pH 6-8) 1.10 6.08 -175.06 5 3 3 38 228.404 4
Mid Mid (pH 6-8) 1.10 4.75 -94.88 4 3 2 33 227.396 4

Activity (Go SEA)

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