UCSF

ZINC12527415

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 26 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) 2.83 9.36 -15.41 1 6 0 73 343.39 3
Lo Low (pH 4.5-6) 2.83 9.13 -39.74 2 6 1 74 344.398 3

Activity (Go SEA)

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