UCSF

ZINC33813878

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 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) 2.99 9.09 -60.21 0 8 -1 100 445.48 5
Lo Low (pH 4.5-6) 2.99 8.6 -23.62 1 8 0 97 446.488 5

Activity (Go SEA)

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