UCSF

ZINC37505292

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 11 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) 1.05 3.81 -38.02 2 2 1 29 171.289 3
Hi High (pH 8-9.5) 1.05 2.61 -3.97 1 2 0 25 170.281 3

Activity (Go SEA)

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