UCSF

ZINC42573459

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 No

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) 3.48 6.3 -11.59 3 3 0 51 251.399 7
Lo Low (pH 4.5-6) 3.48 6.77 -45.06 4 3 1 52 252.407 7

Activity (Go SEA)

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