UCSF

ZINC49785029

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 32 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) 6.90 16.89 -40.53 2 3 1 33 432.607 10
Hi High (pH 8-9.5) 6.90 14.64 -6.76 1 3 0 32 431.599 10
Lo Low (pH 4.5-6) 6.90 17.37 -93 3 3 2 34 433.615 10

Activity (Go SEA)

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