UCSF

ZINC06382377

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 26 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) 2.44 7.35 -64.89 0 6 -1 83 354.382 6
Mid Mid (pH 6-8) 2.44 1.52 -10.97 1 6 0 79 355.39 6
Mid Mid (pH 6-8) 1.86 1.39 -19.31 0 6 0 76 355.39 6

Activity (Go SEA)

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