UCSF

ZINC36634534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 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) 2.63 6.56 -18.77 0 8 0 78 374.832 4
Mid Mid (pH 6-8) 2.63 8.84 -59.93 1 8 1 79 375.84 4

Activity (Go SEA)

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