UCSF

ZINC34873069

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 38 Yes

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) 5.38 14.07 -12.95 1 6 0 81 501.586 9
Lo Low (pH 4.5-6) 5.38 14.53 -41.97 2 6 1 82 502.594 9

Activity (Go SEA)

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