UCSF

ZINC38138368

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2009 34 No

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) -1.12 3.97 -75.86 4 12 -1 181 501.526 6
Hi High (pH 8-9.5) -1.12 4.98 -123.98 3 12 -2 184 500.518 6

Activity (Go SEA)

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