UCSF

ZINC47979676

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 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) 1.09 5.4 -12.66 1 6 0 75 289.335 7
Hi High (pH 8-9.5) 1.55 2.3 -49.73 0 6 -1 78 288.327 7
Mid Mid (pH 6-8) 1.09 7.44 -52.1 2 6 1 76 290.343 7
Mid Mid (pH 6-8) 1.55 4.8 -54.12 1 6 0 80 289.335 7

Activity (Go SEA)

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