UCSF

ZINC33780770

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 36 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) 5.18 13.58 -42.95 0 8 -1 115 485.516 10
Lo Low (pH 4.5-6) 5.18 12.46 -19.6 1 8 0 113 486.524 10

Activity (Go SEA)

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