UCSF

ZINC35500759

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 18 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) 2.68 4.81 -54.23 3 4 1 63 247.318 3
Hi High (pH 8-9.5) 3.13 2.34 -75.57 2 4 0 66 246.31 3

Activity (Go SEA)

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