UCSF

ZINC16322121

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2008 34 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) 3.81 6 -23.18 2 9 0 121 478.53 7
Ref Reference (pH 7) 3.81 5.94 -18.44 2 9 0 121 478.53 7
Hi High (pH 8-9.5) 4.26 4.19 -49.41 1 9 -1 124 477.522 7
Hi High (pH 8-9.5) 4.26 4.09 -61.04 1 9 -1 124 477.522 7

Activity (Go SEA)

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