UCSF

ZINC15228375

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 22 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) 5.30 8.42 -50.51 0 3 -1 52 290.342 2
Mid Mid (pH 6-8) 5.30 9.85 -37.49 0 3 -1 52 290.342 2
Mid Mid (pH 6-8) 5.30 7.56 -9.04 1 3 0 50 291.35 2
Mid Mid (pH 6-8) 5.30 7.99 -8.81 1 3 0 50 291.35 2

Activity (Go SEA)

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