UCSF

ZINC02372355

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 25 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) 4.77 9.52 -14.75 1 4 0 63 370.499 4
Mid Mid (pH 6-8) 5.23 8.15 -48.23 0 4 -1 66 369.491 4

Activity (Go SEA)

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