UCSF

ZINC35501689

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 20 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) 1.47 3.92 -50.44 3 5 1 68 273.312 3
Hi High (pH 8-9.5) 1.47 2.92 -8.41 2 5 0 63 272.304 3

Activity (Go SEA)

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