UCSF

ZINC20731266

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 23 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) 1.99 6.36 -9.56 2 6 0 78 310.357 3
Mid Mid (pH 6-8) 1.99 6.35 -9.88 2 6 0 78 310.357 3
Mid Mid (pH 6-8) 2.18 3.74 -9.85 2 6 0 82 310.357 3
Mid Mid (pH 6-8) 2.18 3.72 -11.36 2 6 0 82 310.357 3

Activity (Go SEA)

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