UCSF

ZINC39287559

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.41 4.08 -12.16 1 5 0 47 315.417 6
Mid Mid (pH 6-8) 1.41 5.43 -43.93 2 5 1 51 316.425 6
Lo Low (pH 4.5-6) 1.41 6.33 -41.42 2 5 1 48 316.425 6

Activity (Go SEA)

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