UCSF

ZINC42597225

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 1.02 3.95 -9.76 3 5 0 75 238.335 4
Mid Mid (pH 6-8) 1.02 4.4 -9.39 3 5 0 75 238.335 4
Lo Low (pH 4.5-6) 1.02 4.52 -34.08 4 5 1 76 239.343 4

Activity (Go SEA)

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