UCSF

ZINC31977355

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 11 No

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) 0.93 2.41 -10.18 3 4 0 64 172.257 3
Mid Mid (pH 6-8) 0.93 2.22 -49.09 4 4 1 65 173.265 3

Activity (Go SEA)

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