UCSF

ZINC41669110

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 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) 4.22 5.14 -8.84 0 7 0 64 490.478 6
Mid Mid (pH 6-8) 4.22 7.41 -48.66 1 7 1 66 491.486 6

Activity (Go SEA)

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