UCSF

ZINC50132148

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2010 21 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) 1.18 1.28 -9.62 1 5 0 53 292.379 7
Mid Mid (pH 6-8) 1.18 3.64 -36.46 2 5 1 54 293.387 7
Mid Mid (pH 6-8) 1.18 3.47 -41.74 2 5 1 54 293.387 7

Activity (Go SEA)

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