UCSF

ZINC26011480

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 27 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) 3.30 10.42 -73.84 2 4 2 15 378.649 6
Mid Mid (pH 6-8) 3.30 10.46 -82.69 2 4 2 15 378.649 6
Lo Low (pH 4.5-6) 3.30 12.7 -158.97 3 4 3 17 379.657 6

Activity (Go SEA)

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