UCSF

ZINC31972940

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 4.09 11.78 -55.1 0 4 -1 57 315.352 4
Mid Mid (pH 6-8) 4.09 12.2 -54.84 1 4 0 59 316.36 4

Activity (Go SEA)

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