UCSF

ZINC11249076

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2007 28 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) 2.76 -4.16 -17.88 2 7 0 104 423.491 7
Mid Mid (pH 6-8) 2.76 -3.95 -43.28 3 7 1 106 424.499 7

Activity (Go SEA)

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