UCSF

ZINC37859230

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 17 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) -0.96 -3.52 -16.86 3 7 0 108 279.343 5
Mid Mid (pH 6-8) -0.50 -5.82 -44.82 2 7 -1 111 278.335 5

Activity (Go SEA)

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