UCSF

ZINC31921253

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 3.54 8.77 -16.13 0 4 0 50 277.327 3
Lo Low (pH 4.5-6) 3.54 9.19 -36.29 1 4 1 52 278.335 3

Activity (Go SEA)

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