UCSF

ZINC37033161

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 1.56 3.93 -53.8 4 6 1 103 274.247 5
Hi High (pH 8-9.5) 1.56 3.64 -9.42 3 6 0 101 273.239 5

Activity (Go SEA)

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