UCSF

ZINC00028231

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 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) -5.23 9.54 -93.41 1 3 2 20 256.434 4
Hi High (pH 8-9.5) -5.23 10.08 -32.8 0 3 1 23 255.426 4

Activity (Go SEA)

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