UCSF

ZINC08919075

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 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) 5.22 12.41 -60.76 0 5 -1 73 443.479 4
Mid Mid (pH 6-8) 4.64 0.26 -12.42 0 5 0 67 444.487 4
Lo Low (pH 4.5-6) 5.22 11.58 -16.15 1 5 0 71 444.487 4

Activity (Go SEA)

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