UCSF

ZINC45651389

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 0.16 3.61 -36.4 2 4 1 37 228.36 4
Mid Mid (pH 6-8) 0.16 2.52 -38.58 2 4 1 40 228.36 4
Lo Low (pH 4.5-6) 0.16 4.82 -101.13 3 4 2 41 229.368 4

Activity (Go SEA)

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