UCSF

ZINC18169257

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 26 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) 4.97 11.1 -14.04 1 3 0 42 366.392 3
Hi High (pH 8-9.5) 5.04 10.2 -40.85 0 3 -1 48 365.384 3

Activity (Go SEA)

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