UCSF

ZINC02977909

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 28 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) 3.29 3.43 -48.17 1 7 -1 104 379.392 6
Mid Mid (pH 6-8) 2.83 5.86 -13 2 7 0 101 380.4 6
Mid Mid (pH 6-8) 3.29 3.29 -48.44 1 7 -1 104 379.392 6

Activity (Go SEA)

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