UCSF

ZINC31962632

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) 1.81 5.74 -54.34 4 5 1 73 293.435 8
Mid Mid (pH 6-8) 1.81 6.04 -95.19 5 5 2 74 294.443 8

Activity (Go SEA)

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