UCSF

ZINC33763502

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 0.97 6.79 -57.56 1 8 -1 116 430.44 7
Lo Low (pH 4.5-6) 0.97 5.49 -23.69 2 8 0 113 431.448 7

Activity (Go SEA)

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