UCSF

ZINC37080758

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) 1.40 4.59 -39.69 3 3 1 34 274.432 5
Hi High (pH 8-9.5) 1.40 6.15 -35.26 3 3 1 34 274.432 5
Mid Mid (pH 6-8) 1.40 6.09 -30.56 3 3 1 34 274.432 5
Mid Mid (pH 6-8) 1.40 6.46 -118.78 4 3 2 35 275.44 5

Activity (Go SEA)

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