UCSF

ZINC08738554

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 33 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) 3.14 11.41 -71.67 1 9 0 120 453.495 9
Hi High (pH 8-9.5) 3.14 8.88 -52.29 0 9 -1 119 452.487 9
Mid Mid (pH 6-8) 2.56 1.66 -57.26 1 9 1 113 454.503 9

Activity (Go SEA)

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