UCSF

ZINC08743731

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 31 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) 5.42 11.85 -57.69 0 5 -1 73 445.545 5
Mid Mid (pH 6-8) 5.87 11.9 -18.93 1 5 0 71 446.553 4
Mid Mid (pH 6-8) 4.84 12.08 -11.41 0 5 0 67 446.553 5

Activity (Go SEA)

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