UCSF

ZINC15076447

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 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) 1.33 2.65 -10.23 2 6 0 67 371.481 10
Mid Mid (pH 6-8) 1.33 4.07 -52.8 3 6 1 71 372.489 10
Mid Mid (pH 6-8) 1.33 5.04 -47.22 3 6 1 68 372.489 10
Lo Low (pH 4.5-6) 1.33 6.52 -158.5 5 6 3 74 374.505 10

Activity (Go SEA)

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