UCSF

ZINC62954924

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) 2.82 5.35 -44.31 3 4 1 62 278.372 4
Hi High (pH 8-9.5) 2.82 4.19 -53.95 1 4 -1 64 276.356 4
Hi High (pH 8-9.5) 2.82 3.95 -43.72 1 4 -1 64 276.356 4
Mid Mid (pH 6-8) 2.82 6.36 -57.9 2 4 0 65 277.364 4
Mid Mid (pH 6-8) 2.82 3.18 -9.61 2 4 0 61 277.364 4

Activity (Go SEA)

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