UCSF

ZINC31995112

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 2.13 9.03 -101.35 3 3 2 24 289.467 3
Hi High (pH 8-9.5) 2.13 7.83 -35.57 2 3 1 20 288.459 3

Activity (Go SEA)

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