UCSF

ZINC08296663

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2006 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) 3.80 10.76 -10.6 1 4 0 45 361.47 4
Lo Low (pH 4.5-6) 3.80 11.1 -38.93 2 4 1 46 362.478 4

Activity (Go SEA)

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