UCSF

ZINC35325354

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 18 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) 1.23 5.76 -47.56 0 5 -1 64 255.338 7
Mid Mid (pH 6-8) 1.23 7.97 -73.01 1 5 0 65 256.346 7
Lo Low (pH 4.5-6) 1.23 5.99 -45.63 2 5 1 62 257.354 7

Activity (Go SEA)

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