UCSF

ZINC01204944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 30 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) 3.62 4.75 -52.29 1 7 -1 104 401.398 4
Hi High (pH 8-9.5) 3.62 5.63 -125.88 0 7 -2 107 400.39 4
Mid Mid (pH 6-8) 3.17 7.35 -12.58 2 7 0 101 402.406 4

Activity (Go SEA)

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