UCSF

ZINC31924894

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 3.50 7.32 -14.22 1 7 0 81 435.524 7
Mid Mid (pH 6-8) 3.50 9.42 -50.32 2 7 1 82 436.532 7

Activity (Go SEA)

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