UCSF

ZINC02961948

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 27 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) 4.06 9.28 -12.84 1 6 0 68 366.417 7
Mid Mid (pH 6-8) 3.86 9.65 -37.13 1 6 1 70 367.425 6

Activity (Go SEA)

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