UCSF

ZINC36775684

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) 0.56 4.92 -121.86 4 3 2 45 221.348 5
Hi High (pH 8-9.5) 0.56 2.99 -42.8 3 3 1 44 220.34 5
Mid Mid (pH 6-8) 0.56 4.48 -32.65 3 3 1 43 220.34 5

Activity (Go SEA)

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