UCSF

ZINC01291003

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 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) 6.23 12.46 -16.73 1 5 0 66 455.649 8
Mid Mid (pH 6-8) 6.69 11.22 -49.14 0 5 -1 69 454.641 8

Activity (Go SEA)

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