UCSF

ZINC38204974

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 22 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) 4.16 4.75 -47.41 1 3 -1 56 326.422 3
Lo Low (pH 4.5-6) 3.70 6.83 -9.95 2 3 0 53 327.43 3

Activity (Go SEA)

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