UCSF

ZINC37839270

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 No

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) 1.50 9.27 -13.03 0 3 0 37 267.275 5
Hi High (pH 8-9.5) 2.24 8.18 -48 0 3 -1 43 266.267 4

Activity (Go SEA)

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