UCSF

ZINC08739760

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 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) 1.81 -3.93 -57.53 4 8 1 103 432.932 5
Mid Mid (pH 6-8) 1.81 -3.71 -118.26 5 8 2 105 433.94 5

Activity (Go SEA)

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