UCSF

ZINC53143736

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 Yes

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) 1.95 6.86 -51.99 3 3 1 46 270.352 3
Hi High (pH 8-9.5) 1.95 7.05 -6.73 2 3 0 44 269.344 3

Activity (Go SEA)

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