UCSF

ZINC33707343

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 33 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) 3.64 13.56 -64.18 2 7 1 80 447.559 8
Hi High (pH 8-9.5) 3.64 11.28 -16.34 1 7 0 79 446.551 8

Activity (Go SEA)

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