UCSF

ZINC32068023

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 22 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) 0.06 3.52 -52.71 3 6 1 75 306.386 6
Mid Mid (pH 6-8) 0.06 2.15 -11.01 2 6 0 71 305.378 6

Activity (Go SEA)

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