UCSF

ZINC37987021

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 16 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) -0.95 -0.88 -7.13 3 7 0 100 226.236 4
Hi High (pH 8-9.5) -0.49 -2.54 -38.86 2 7 -1 103 225.228 4

Activity (Go SEA)

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