UCSF

ZINC01154067

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 32 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) 3.96 10.77 -40.65 0 7 -1 95 468.942 6
Mid Mid (pH 6-8) 3.37 0.19 -18.88 0 7 0 89 469.95 6

Activity (Go SEA)

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