UCSF

ZINC09001618

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 32 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) 4.15 -5.2 -20.69 2 8 0 114 452.467 6
Hi High (pH 8-9.5) 4.15 -4.78 -59.56 1 8 -1 116 451.459 6

Activity (Go SEA)

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