UCSF

ZINC42597319

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 1.04 2.46 -14.59 1 6 0 79 288.369 7
Hi High (pH 8-9.5) 1.50 0.41 -48.99 0 6 -1 83 287.361 7

Activity (Go SEA)

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