UCSF

ZINC20251414

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 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) 2.65 6.22 -53.97 1 4 -1 69 242.339 10
Lo Low (pH 4.5-6) 2.65 5.1 -15.94 2 4 0 66 243.347 10

Activity (Go SEA)

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