UCSF

ZINC43609090

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 29 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) 2.92 9.02 -62.16 3 7 1 85 393.467 7
Hi High (pH 8-9.5) 2.92 6.7 -18.86 2 7 0 84 392.459 7

Activity (Go SEA)

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