UCSF

ZINC46833605

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2010 25 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) 2.00 6.66 -53.44 3 5 1 63 360.4 11
Mid Mid (pH 6-8) 2.00 4.48 -14.53 2 5 0 61 359.392 11

Activity (Go SEA)

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