UCSF

ZINC36779347

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 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) 0.91 0.3 -42.02 4 4 1 66 226.296 5
Hi High (pH 8-9.5) 0.91 -0.01 -5.74 3 4 0 65 225.288 5

Activity (Go SEA)

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