UCSF

ZINC34987053

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 5.73 14.06 -14.57 2 6 0 74 508.666 9
Lo Low (pH 4.5-6) 5.73 14.51 -47.4 3 6 1 76 509.674 9

Activity (Go SEA)

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