UCSF

ZINC45692673

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 3.96 7.54 -37.6 2 3 1 29 344.317 8
Mid Mid (pH 6-8) 3.96 9.26 -36.63 2 3 1 26 344.317 8
Lo Low (pH 4.5-6) 3.96 9.27 -120.61 3 3 2 30 345.325 8

Activity (Go SEA)

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