UCSF

ZINC08992401

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 15 No

Download: MOL2 SDF SMILES Flexibase

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) 0.59 2.43 -45.44 1 5 -1 64 221.265 3
Mid Mid (pH 6-8) -0.14 2.35 -15.68 2 5 0 67 222.273 3

Activity (Go SEA)

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