UCSF

ZINC08993462

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 30 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) 3.83 2.95 -13.74 0 7 0 70 398.47 4
Lo Low (pH 4.5-6) 3.83 2.96 -38.85 1 7 1 71 399.478 4

Activity (Go SEA)

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