UCSF

ZINC36267720

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) -0.32 2.71 -57.54 5 8 1 112 251.27 2
Hi High (pH 8-9.5) -0.32 2.39 -8.82 4 8 0 111 250.262 2

Activity (Go SEA)

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