UCSF

ZINC37043685

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 2.15 4.38 -46.51 1 5 -1 86 368.172 5
Hi High (pH 8-9.5) 2.15 4.52 -99.53 0 5 -2 88 367.164 5

Activity (Go SEA)

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