UCSF

ZINC39315088

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.50 2.74 -10.13 2 8 0 89 361.398 6
Lo Low (pH 4.5-6) 1.50 5.14 -45.39 3 8 1 90 362.406 6

Activity (Go SEA)

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