UCSF

ZINC09635576

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 32 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) 4.05 7.02 -22.65 3 8 0 118 491.664 6
Lo Low (pH 4.5-6) 4.05 7.34 -37.86 4 8 1 120 492.672 6
Lo Low (pH 4.5-6) 4.05 3.35 -40.73 4 8 1 120 492.672 6

Activity (Go SEA)

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