UCSF

ZINC38609648

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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 5.56 -13.99 3 7 0 99 407.47 7
Mid Mid (pH 6-8) 4.03 6.32 -52.05 2 7 -1 102 406.462 7

Activity (Go SEA)

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