UCSF

ZINC45663711

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.27 5.71 -113.6 4 3 2 35 285.863 8
Hi High (pH 8-9.5) 2.27 3.25 -41.81 3 3 1 34 284.855 8

Activity (Go SEA)

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