UCSF

ZINC43801380

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 15 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) 0.64 2.91 -52.23 3 4 1 55 215.317 4
Hi High (pH 8-9.5) 0.64 1.56 -9.41 2 4 0 50 214.309 4

Activity (Go SEA)

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