UCSF

ZINC40046458

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 32 No

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) 2.86 7.13 -65.35 1 8 -1 112 442.488 12
Mid Mid (pH 6-8) 2.86 6.23 -18.88 2 8 0 109 443.496 12

Activity (Go SEA)

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