UCSF

ZINC33729213

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 29 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) 3.97 9.31 -30.18 2 7 0 87 407.499 4
Hi High (pH 8-9.5) 4.15 8.24 -64.89 1 7 -1 94 406.491 4

Activity (Go SEA)

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