UCSF

ZINC08738410

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 31 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) 2.07 6.06 -59.41 0 8 -1 97 426.445 9
Mid Mid (pH 6-8) 1.48 5.63 -26.85 0 8 0 91 427.453 9
Mid Mid (pH 6-8) 2.51 4.65 -32.06 1 8 0 95 427.453 8

Activity (Go SEA)

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