UCSF

ZINC25722700

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 23 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) 3.25 9.48 -21.21 1 5 0 64 331.441 6
Hi High (pH 8-9.5) 3.44 8.41 -49.14 0 5 -1 70 330.433 6

Activity (Go SEA)

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