UCSF

ZINC36681989

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 2.18 2.63 -50.05 5 5 1 86 273.312 5
Hi High (pH 8-9.5) 2.18 2.19 -12.49 4 5 0 85 272.304 5

Activity (Go SEA)

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