UCSF

ZINC08996500

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 31 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) 1.53 6.49 -58.24 4 9 1 113 428.513 5
Mid Mid (pH 6-8) 1.53 6.95 -118.35 5 9 2 114 429.521 5

Activity (Go SEA)

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