UCSF

ZINC43446272

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 0.50 3.33 -44.64 2 5 1 55 245.343 8
Mid Mid (pH 6-8) 0.50 2 -6.65 1 5 0 51 244.335 8
Mid Mid (pH 6-8) 0.50 4.28 -39.29 2 5 1 52 245.343 8
Mid Mid (pH 6-8) 0.50 5.61 -109.62 3 5 2 57 246.351 8

Activity (Go SEA)

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