UCSF

ZINC34541615

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 3.06 6.09 -14.16 2 7 0 102 408.353 7
Mid Mid (pH 6-8) 3.06 6.63 -59.61 1 7 -1 105 407.345 7

Activity (Go SEA)

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