UCSF

ZINC44263721

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 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) 1.99 7.2 -27.58 3 4 1 56 193.274 1
Mid Mid (pH 6-8) 1.99 6.86 -6.21 2 4 0 55 192.266 1

Activity (Go SEA)

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