UCSF

ZINC61745466

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 19 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) 2.74 8.86 -27.57 1 3 1 22 252.341 4
Hi High (pH 8-9.5) 2.74 8.13 -10.32 0 3 0 21 251.333 4
Mid Mid (pH 6-8) 2.74 10.44 -38.66 1 3 1 22 252.341 4

Activity (Go SEA)

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