UCSF

ZINC35024098

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.06 5.28 -63.99 1 8 -1 112 432.408 5
Lo Low (pH 4.5-6) 2.06 4.53 -19.62 2 8 0 109 433.416 5

Activity (Go SEA)

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