UCSF

ZINC61707840

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 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) 0.40 1.2 -33.54 2 3 1 38 185.272 2
Hi High (pH 8-9.5) 0.40 -1.13 -7.38 1 3 0 36 184.264 2

Activity (Go SEA)

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