UCSF

ZINC34033905

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 22 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) 2.28 5.02 -37.56 2 4 1 43 367.263 1
Hi High (pH 8-9.5) 2.28 2.93 -7.97 1 4 0 42 366.255 1

Activity (Go SEA)

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