UCSF

ZINC01188217

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2005 23 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) 4.64 9.81 -41.89 0 3 -1 52 371.254 1
Mid Mid (pH 6-8) 4.22 -2.84 -12.35 0 3 0 46 372.262 1

Activity (Go SEA)

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