UCSF

ZINC43395720

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.75 6.46 -171.12 5 4 3 49 251.398 3
Hi High (pH 8-9.5) 0.75 6.05 -76.26 4 4 2 48 250.39 3
Mid Mid (pH 6-8) 0.75 6.01 -96.21 4 4 2 48 250.39 3

Activity (Go SEA)

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