UCSF

ZINC31977971

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 3.13 6.06 -10.55 0 4 0 39 303.402 4
Mid Mid (pH 6-8) 3.13 8.35 -39.01 1 4 1 40 304.41 4

Activity (Go SEA)

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