UCSF

ZINC36747687

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) -1.92 -3.48 -49.89 5 6 1 92 229.304 5
Hi High (pH 8-9.5) -1.92 -4.82 -17.29 4 6 0 87 228.296 5

Activity (Go SEA)

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