UCSF

ZINC33813946

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 2.81 8.18 -55.19 1 9 -1 128 487.517 5
Lo Low (pH 4.5-6) 2.81 7.63 -24.76 2 9 0 125 488.525 5

Activity (Go SEA)

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