UCSF

ZINC19914006

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 25 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) 3.32 9.92 -36.42 1 4 1 28 362.563 6
Hi High (pH 8-9.5) 3.32 7.46 -6.79 0 4 0 27 361.555 6
Mid Mid (pH 6-8) 3.32 9.79 -36.96 1 4 1 28 362.563 6

Activity (Go SEA)

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