UCSF

ZINC09210504

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 34 No

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) 0.88 6.42 -52.43 2 9 1 103 468.53 9
Mid Mid (pH 6-8) 0.30 -1.44 -61.5 1 9 1 99 468.53 9

Activity (Go SEA)

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