UCSF

ZINC16450448

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 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) 4.55 9.55 -49.94 1 6 -1 95 387.824 5
Ref Reference (pH 7) 4.06 9.43 -88.89 0 6 -2 93 386.816 6
Hi High (pH 8-9.5) 5.01 7.81 -95.52 0 6 -2 98 386.816 5

Activity (Go SEA)

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