UCSF

ZINC44610599

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) -1.04 -0.05 -56.03 4 7 1 96 206.233 2
Lo Low (pH 4.5-6) -1.04 0.42 -109.56 5 7 2 97 207.241 2

Activity (Go SEA)

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