UCSF

ZINC36877878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 0.47 5.09 -50.15 4 5 1 75 290.387 6
Hi High (pH 8-9.5) 0.47 4.81 -9.96 3 5 0 73 289.379 6
Mid Mid (pH 6-8) 0.47 5.18 -125.85 5 5 2 76 291.395 6

Activity (Go SEA)

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