UCSF

ZINC37252388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 0.84 6.9 -54.11 2 5 0 74 233.271 5
Hi High (pH 8-9.5) 0.84 5.55 -47.99 1 5 -1 69 232.263 5
Lo Low (pH 4.5-6) 0.84 7.35 -90.19 3 5 1 75 234.279 5

Activity (Go SEA)

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