UCSF

ZINC36381417

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 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) 4.31 6.84 -9.53 1 2 0 33 247.297 2
Hi High (pH 8-9.5) 4.31 7.62 -52.11 0 2 -1 36 246.289 2

Activity (Go SEA)

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