UCSF

ZINC45653397

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 2.63 8.05 -37.42 2 3 1 40 258.389 4
Hi High (pH 8-9.5) 2.63 5.72 -4.53 1 3 0 39 257.381 4

Activity (Go SEA)

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