UCSF

ZINC41669468

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 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) 4.61 6.95 -9.47 0 6 0 61 449.425 5
Mid Mid (pH 6-8) 4.61 9.93 -46.95 1 6 1 62 450.433 5

Activity (Go SEA)

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