UCSF

ZINC36678257

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 10 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) 0.11 0.9 -39.91 4 4 1 63 146.214 3
Hi High (pH 8-9.5) 0.11 -1.28 -4.68 3 4 0 62 145.206 3

Activity (Go SEA)

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