UCSF

ZINC14968028

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 25 Yes

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) 3.32 10.28 -11.02 3 8 0 95 344.419 7
Lo Low (pH 4.5-6) 3.32 10.64 -25.55 4 8 1 97 345.427 7
Lo Low (pH 4.5-6) 3.32 10.71 -23.1 4 8 1 97 345.427 7

Activity (Go SEA)

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