UCSF

ZINC17730069

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2008 28 No

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) 3.16 10.58 -69.93 1 5 0 65 378.472 8
Hi High (pH 8-9.5) 3.16 8.26 -60.1 0 5 -1 64 377.464 8
Mid Mid (pH 6-8) 3.61 9.46 -52.84 2 5 1 62 379.48 7
Mid Mid (pH 6-8) 2.58 10.48 -53.54 1 5 1 59 379.48 8

Activity (Go SEA)

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