UCSF

ZINC35250983

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 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) -0.19 0.12 -5.41 3 6 0 91 196.21 3
Hi High (pH 8-9.5) 0.27 -1.55 -36.08 2 6 -1 94 195.202 3

Activity (Go SEA)

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