UCSF

ZINC33697516

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 30 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) 3.75 9.07 -25.73 1 8 0 94 430.53 9
Hi High (pH 8-9.5) 3.93 8.01 -51.95 0 8 -1 100 429.522 9

Activity (Go SEA)

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