UCSF

ZINC37078647

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 8 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) -0.07 0.47 -35.38 3 2 1 31 117.216 3
Mid Mid (pH 6-8) -0.07 2.45 -109.61 4 2 2 32 118.224 3
Mid Mid (pH 6-8) -0.07 2.12 -29.68 3 2 1 30 117.216 3

Activity (Go SEA)

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