UCSF

ZINC52215988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 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) 0.01 4.94 -43.61 2 6 1 57 295.407 3
Hi High (pH 8-9.5) 0.01 2.86 -21.03 1 6 0 56 294.399 3

Activity (Go SEA)

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