UCSF

ZINC35409420

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) -2.13 -2.03 -94.05 2 8 -2 138 239.187 4
Hi High (pH 8-9.5) -2.13 -3.03 -96.95 2 8 -2 138 239.187 4
Mid Mid (pH 6-8) -2.59 -0.34 -47.88 3 8 -1 135 240.195 4

Activity (Go SEA)

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