UCSF

ZINC33790029

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 35 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) 6.12 13.32 -43.14 0 6 -1 83 503.987 6
Lo Low (pH 4.5-6) 6.12 12.19 -23.74 1 6 0 80 504.995 6

Activity (Go SEA)

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