UCSF

ZINC34603269

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 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) 0.47 8.35 -111.63 3 7 0 102 407.417 4
Mid Mid (pH 6-8) 0.47 6.33 -65.05 4 7 1 99 408.425 4
Lo Low (pH 4.5-6) -2.28 6.34 -90.81 4 7 1 105 408.425 3

Activity (Go SEA)

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