UCSF

ZINC37251113

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 13 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) -0.20 3.99 -31.9 2 4 0 66 187.239 4
Hi High (pH 8-9.5) -0.20 2.8 -44.57 1 4 -1 61 186.231 4

Activity (Go SEA)

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