UCSF

ZINC44620128

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) -2.74 8.07 -54.88 1 7 0 112 280.328 9
Hi High (pH 8-9.5) -2.74 5.49 -55.87 0 7 -1 111 279.32 9

Activity (Go SEA)

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