UCSF

ZINC20589693

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 31 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) 3.37 9.19 -32.05 1 7 0 87 422.481 5
Hi High (pH 8-9.5) 3.37 6.83 -42.51 0 7 -1 86 421.473 5
Hi High (pH 8-9.5) 3.37 9.15 -48.7 1 7 0 87 422.481 5
Mid Mid (pH 6-8) 3.37 8.85 -51.05 2 7 1 84 423.489 5
Mid Mid (pH 6-8) 3.37 8.73 -54.15 2 7 1 84 423.489 5
Mid Mid (pH 6-8) 3.37 6.21 -10.36 1 7 0 83 422.481 5

Activity (Go SEA)

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