UCSF

ZINC36909030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 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) 0.48 5.5 -50.55 1 6 -1 96 266.273 6
Lo Low (pH 4.5-6) 0.48 3.73 -20.6 2 6 0 93 267.281 6

Activity (Go SEA)

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