UCSF

ZINC37977785

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.14 4.24 -52.13 3 5 1 64 247.322 5
Mid Mid (pH 6-8) 1.14 3.38 -33.13 3 5 1 60 247.322 5
Mid Mid (pH 6-8) 1.14 2.89 -16.88 2 5 0 59 246.314 5
Lo Low (pH 4.5-6) 1.14 4.74 -113.37 4 5 2 65 248.33 5

Activity (Go SEA)

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