UCSF

ZINC28014602

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 26 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) 2.08 4.08 -51.69 3 5 1 67 356.442 2
Hi High (pH 8-9.5) 2.08 1.96 -10.65 2 5 0 65 355.434 2

Activity (Go SEA)

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