UCSF

ZINC37262728

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 1.60 4.66 -34.06 3 5 1 59 277.392 5
Hi High (pH 8-9.5) 1.60 4.33 -11.56 2 5 0 57 276.384 5
Mid Mid (pH 6-8) 1.60 5.52 -46.7 3 5 1 62 277.392 5

Activity (Go SEA)

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