UCSF

ZINC16075212

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2008 19 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) 2.12 0.95 -9.08 1 5 0 51 265.309 2
Lo Low (pH 4.5-6) 2.12 3.43 -40.1 2 5 1 52 266.317 2

Activity (Go SEA)

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