UCSF

ZINC36749270

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 12 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) 0.62 3.23 -23.66 3 4 1 48 169.252 2
Hi High (pH 8-9.5) 0.62 3.11 -5.44 2 4 0 47 168.244 2

Activity (Go SEA)

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