UCSF

ZINC32090175

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 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) 1.50 3.18 -40.6 3 3 1 40 237.367 7
Hi High (pH 8-9.5) 1.50 1.83 -3.32 2 3 0 35 236.359 7
Mid Mid (pH 6-8) 1.51 4.4 -38.16 3 3 1 37 237.367 7

Activity (Go SEA)

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