UCSF

ZINC37049314

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) -0.16 4.28 -95.72 4 5 2 56 284.448 7
Mid Mid (pH 6-8) -0.16 4.21 -88.15 4 5 2 56 284.448 7
Mid Mid (pH 6-8) -0.16 2.01 -48.46 3 5 1 54 283.44 7

Activity (Go SEA)

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