UCSF

ZINC34952691

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 29 No

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) 4.53 9.29 -7.03 1 5 0 53 419.997 9
Mid Mid (pH 6-8) 4.53 11.53 -50.25 2 5 1 54 421.005 9

Activity (Go SEA)

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