UCSF

ZINC12462993

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 12 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) 2.06 4.03 -26.81 3 2 1 40 159.212 0
Hi High (pH 8-9.5) 2.06 3.68 -7.14 2 2 0 39 158.204 0

Activity (Go SEA)

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