UCSF

ZINC34677616

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 26 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) 1.54 3.32 -45.61 2 7 1 74 365.498 8
Mid Mid (pH 6-8) 1.54 1.05 -9.75 1 7 0 73 364.49 8
Lo Low (pH 4.5-6) 1.54 3.29 -44.91 2 7 1 74 365.498 8

Activity (Go SEA)

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