UCSF

ZINC63505262

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 2011 17 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) 1.56 6.39 -87.22 3 4 2 38 243.395 6
Hi High (pH 8-9.5) 1.56 4.17 -40.07 2 4 1 37 242.387 6

Activity (Go SEA)

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