UCSF

ZINC24117265

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 38 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) 4.03 9.9 -57.78 0 8 -1 91 517.602 12
Mid Mid (pH 6-8) 4.03 12.23 -73.12 1 8 0 93 518.61 12

Activity (Go SEA)

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