UCSF

ZINC27571854

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 30 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) 4.31 9.51 -105.73 0 8 -2 120 424.434 9
Mid Mid (pH 6-8) 4.31 9.93 -60 1 8 -1 118 425.442 9

Activity (Go SEA)

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