UCSF

ZINC37871385

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 11 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) -0.51 -0.26 -12.91 2 4 0 65 155.201 4
Mid Mid (pH 6-8) -0.51 0.95 -48.65 3 4 1 69 156.209 4

Activity (Go SEA)

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