UCSF

ZINC53115926

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 0.29 3.45 -48.2 3 6 1 81 296.391 4
Hi High (pH 8-9.5) 0.29 2.23 -12.09 2 6 0 76 295.383 4

Activity (Go SEA)

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