UCSF

ZINC37859358

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) -0.48 -5.22 -15.08 4 7 0 122 265.316 4
Mid Mid (pH 6-8) -0.03 -7.17 -45.56 3 7 -1 125 264.308 4

Activity (Go SEA)

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