UCSF

ZINC36047072

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 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) 2.41 8.4 -73.9 1 10 -1 150 396.335 5
Mid Mid (pH 6-8) 2.41 9 -96.94 0 10 -2 153 395.327 5

Activity (Go SEA)

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