UCSF

ZINC49537570

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 30 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) 5.50 15.48 -52.33 2 5 1 47 438.561 4
Mid Mid (pH 6-8) 5.50 15.59 -23.16 1 5 0 46 437.553 4

Activity (Go SEA)

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