UCSF

ZINC42915834

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 1.77 8.13 -111.74 4 3 2 47 231.343 4
Hi High (pH 8-9.5) 1.77 7.81 -5.65 2 3 0 44 229.327 4
Mid Mid (pH 6-8) 1.77 7.3 -47.2 3 3 1 45 230.335 4

Activity (Go SEA)

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