UCSF

ZINC45837483

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2010 19 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) 2.99 7.54 -31.96 1 3 1 17 263.405 5
Hi High (pH 8-9.5) 2.99 5.34 -3.96 0 3 0 16 262.397 5

Activity (Go SEA)

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