UCSF

ZINC53474480

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 27 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) 2.84 3.85 -40.19 2 7 -1 111 381.437 4
Lo Low (pH 4.5-6) 2.39 5.79 -10.84 3 7 0 108 382.445 4

Activity (Go SEA)

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