UCSF

ZINC42767039

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 1.64 2.69 -9.12 3 5 0 71 305.3 8
Lo Low (pH 4.5-6) 1.64 4.76 -45.61 4 5 1 72 306.308 8

Activity (Go SEA)

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