UCSF

ZINC33774749

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 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) 5.06 13.27 -59.24 0 8 -1 101 518.586 13
Lo Low (pH 4.5-6) 5.06 11.98 -21.81 1 8 0 98 519.594 13

Activity (Go SEA)

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