UCSF

ZINC34968635

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 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) 2.03 5.19 -18.72 2 9 0 96 444.532 11
Mid Mid (pH 6-8) 2.03 7.44 -53.04 3 9 1 97 445.54 11

Activity (Go SEA)

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