UCSF

ZINC41658800

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.96 6.88 -8.1 0 5 0 56 348.402 2
Mid Mid (pH 6-8) 2.96 9.64 -46.07 1 5 1 57 349.41 2
Lo Low (pH 4.5-6) 2.96 10.12 -100.01 2 5 2 58 350.418 2

Activity (Go SEA)

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