UCSF

ZINC33822264

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 17 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) 4.03 7.79 -46.04 1 3 -1 60 241.351 12
Lo Low (pH 4.5-6) 4.03 5.82 -7.81 2 3 0 58 242.359 12

Activity (Go SEA)

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