UCSF

ZINC36890566

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 20 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) 3.10 2.77 -54.14 3 5 -1 93 272.28 4
Lo Low (pH 4.5-6) 3.10 0.79 -10.55 4 5 0 90 273.288 4

Activity (Go SEA)

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