UCSF

ZINC37054698

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 1.32 1.93 -42.9 4 5 1 77 313.23 5
Hi High (pH 8-9.5) 1.32 -0.54 -9.34 3 5 0 75 312.222 5

Activity (Go SEA)

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