UCSF

ZINC02464395

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 34 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) 6.43 16.14 -47.45 0 4 -1 70 445.494 6
Mid Mid (pH 6-8) 6.43 15.54 -27.45 1 4 0 68 446.502 6

Activity (Go SEA)

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