UCSF

ZINC13552856

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 33 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) 4.83 11.11 -60.95 0 6 -1 79 450.555 10
Mid Mid (pH 6-8) 5.28 11.44 -20.68 1 6 0 76 451.563 9

Activity (Go SEA)

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