UCSF

ZINC33428822

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 23 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) 4.88 6.66 -14.99 2 5 0 70 325.393 4
Hi High (pH 8-9.5) 4.88 7.44 -51.1 1 5 -1 73 324.385 4

Activity (Go SEA)

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