UCSF

ZINC60041220

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 27 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) 1.98 8.92 -41.69 2 7 1 80 382.525 8
Mid Mid (pH 6-8) 1.98 8.09 -17.48 1 7 0 79 381.517 8

Activity (Go SEA)

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