UCSF

ZINC41551595

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 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) 4.84 11.5 -13.35 1 7 0 94 429.542 9
Hi High (pH 8-9.5) 4.91 10.44 -46.06 0 7 -1 101 428.534 9

Activity (Go SEA)

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