UCSF

ZINC31167020

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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 10.06 -158.26 1 11 -3 193 457.452 18
Lo Low (pH 4.5-6) 0.63 8.93 -102.56 2 11 -2 190 458.46 18

Activity (Go SEA)

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