UCSF

ZINC37080082

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) -0.21 5.96 -38.78 3 3 1 48 233.335 5
Hi High (pH 8-9.5) -0.21 5.52 -7.78 2 3 0 46 232.327 5

Activity (Go SEA)

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