UCSF

ZINC34943878

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 3.93 12.52 -75.02 1 6 0 74 434.536 9
Lo Low (pH 4.5-6) 3.93 11.62 -49.84 2 6 1 71 435.544 9

Activity (Go SEA)

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