UCSF

ZINC52299331

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 14 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) 0.13 5.83 -38.65 3 2 1 33 191.298 1
Hi High (pH 8-9.5) 0.13 5.51 -4.21 2 2 0 31 190.29 1

Activity (Go SEA)

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