UCSF

ZINC33587420

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 38 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) 4.18 11.49 -58.34 0 7 -1 82 511.598 10
Mid Mid (pH 6-8) 4.18 13.82 -74.9 1 7 0 83 512.606 10
Lo Low (pH 4.5-6) 4.18 12.52 -58.37 2 7 1 81 513.614 10

Activity (Go SEA)

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