UCSF

ZINC35385266

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 0.07 5.1 -35.93 2 5 0 75 302.124 4
Hi High (pH 8-9.5) 0.07 3.75 -46.4 1 5 -1 71 301.116 4

Activity (Go SEA)

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