UCSF

ZINC01290367

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 26 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) 6.10 10.72 -17.67 1 3 0 46 382.485 4
Mid Mid (pH 6-8) 6.56 9.48 -51.41 0 3 -1 49 381.477 4

Activity (Go SEA)

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