UCSF

ZINC37052306

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) -1.21 1.93 -5.57 2 4 0 56 224.235 3
Mid Mid (pH 6-8) -1.21 2.23 -48.71 3 4 1 57 225.243 3
Lo Low (pH 4.5-6) -1.21 2.24 -49.26 3 4 1 57 225.243 3

Activity (Go SEA)

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