UCSF

ZINC41510702

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 31 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) 4.31 10.72 -50.08 2 6 1 69 421.517 6
Mid Mid (pH 6-8) 4.31 11.48 -37.19 1 6 0 72 420.509 6

Activity (Go SEA)

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