UCSF

ZINC36158866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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 8.43 -17.27 2 6 0 82 435.549 8
Mid Mid (pH 6-8) 3.13 10.45 -56.36 3 6 1 84 436.557 8

Activity (Go SEA)

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