UCSF

ZINC40632092

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2010 24 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) 3.65 8.8 -9.42 1 3 0 32 313.404 2
Mid Mid (pH 6-8) 3.65 9.14 -33.74 2 3 1 33 314.412 2
Mid Mid (pH 6-8) 3.65 11.06 -43.52 2 3 1 33 314.412 2

Activity (Go SEA)

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