UCSF

ZINC31960217

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 1.99 6.37 -51.02 2 6 -1 94 312.349 7
Mid Mid (pH 6-8) 1.99 6.82 -68.8 3 6 0 95 313.357 7
Lo Low (pH 4.5-6) 1.99 5.7 -43.59 4 6 1 93 314.365 7

Activity (Go SEA)

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