UCSF

ZINC20191631

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 25 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) 2.88 3.53 -47.95 1 6 -1 95 355.757 2
Hi High (pH 8-9.5) 2.88 4.32 -96.85 0 6 -2 98 354.749 2
Lo Low (pH 4.5-6) 2.42 5.3 -13.49 2 6 0 92 356.765 2

Activity (Go SEA)

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