UCSF

ZINC42251613

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 20 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) 2.97 8.66 -34.24 1 4 1 34 283.436 7
Mid Mid (pH 6-8) 2.97 8.44 -38.04 1 4 1 34 283.436 7
Lo Low (pH 4.5-6) 2.97 10.84 -101.62 2 4 2 35 284.444 7

Activity (Go SEA)

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