UCSF

ZINC02873843

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 28 Yes

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) 2.74 8.32 -54.43 2 6 1 71 402.54 5
Mid Mid (pH 6-8) 2.74 6.11 -17.06 1 6 0 70 401.532 5
Mid Mid (pH 6-8) 2.74 8.37 -79.11 1 6 0 73 401.532 5

Activity (Go SEA)

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