UCSF

ZINC33762007

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 31 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) 5.06 11.22 -18.7 1 7 0 88 503.422 7
Hi High (pH 8-9.5) 5.24 10.16 -39.82 0 7 -1 95 502.414 7

Activity (Go SEA)

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