UCSF

ZINC00074564

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 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) 3.41 -2.08 -11.94 1 6 0 91 330.724 4
Hi High (pH 8-9.5) 3.41 -1.5 -32.24 0 6 -1 94 329.716 4

Activity (Go SEA)

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