UCSF

ZINC34987353

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 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) 2.97 9.65 -63.89 3 6 1 72 357.478 9
Hi High (pH 8-9.5) 2.97 7.18 -18.22 2 6 0 70 356.47 9
Lo Low (pH 4.5-6) 2.97 9.94 -115.45 4 6 2 73 358.486 9

Activity (Go SEA)

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