UCSF

ZINC08857914

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 34 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) 3.27 9.45 -44.16 0 7 -1 92 455.49 9
Mid Mid (pH 6-8) 2.69 0.23 -19.22 0 7 0 85 456.498 9
Lo Low (pH 4.5-6) 2.69 0.35 -63.11 1 7 1 87 457.506 9

Activity (Go SEA)

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