UCSF

ZINC35464287

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.63 13.19 -175.15 1 11 -3 193 457.452 18
Lo Low (pH 4.5-6) 0.63 11.16 -102.58 2 11 -2 190 458.46 18

Activity (Go SEA)

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