UCSF

ZINC34964780

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 29 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) 3.31 12.15 -39.46 1 6 1 54 402.559 9
Hi High (pH 8-9.5) 3.31 9.94 -11.73 0 6 0 53 401.551 9
Lo Low (pH 4.5-6) 3.31 12.47 -111.4 2 6 2 55 403.567 9

Activity (Go SEA)

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