UCSF

ZINC39346761

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2010 28 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) 0.67 8.02 -54.21 5 6 0 117 384.476 9
Hi High (pH 8-9.5) 0.67 8.44 -67.54 4 6 -1 120 383.468 9
Mid Mid (pH 6-8) 0.67 7.7 -51.7 4 6 -1 115 383.468 9

Activity (Go SEA)

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