UCSF

ZINC07812159

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2006 27 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) 2.24 7.89 -49.02 2 8 1 95 377.417 7
Hi High (pH 8-9.5) 2.24 5.74 -15.78 1 8 0 94 376.409 7
Hi High (pH 8-9.5) 2.06 5.02 -52.32 0 8 -1 101 375.401 7

Activity (Go SEA)

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