UCSF

ZINC35387071

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) -1.42 2.98 -34.23 2 4 0 66 161.201 6
Hi High (pH 8-9.5) -1.42 1.75 -45.42 1 4 -1 61 160.193 6

Activity (Go SEA)

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