UCSF

ZINC61815618

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 21 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) 4.22 8.82 -42.52 2 3 1 35 351.264 8
Hi High (pH 8-9.5) 4.22 7.35 -6.59 1 3 0 30 350.256 8

Activity (Go SEA)

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