UCSF

ZINC35179873

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 15 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) -0.86 -1.67 -6.98 3 7 0 100 212.209 3
Hi High (pH 8-9.5) -0.40 -3.34 -38.21 2 7 -1 103 211.201 3

Activity (Go SEA)

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