UCSF

ZINC23093525

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 14 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) 1.51 4.16 -41.57 2 2 1 20 191.298 2
Hi High (pH 8-9.5) 1.51 5.17 -34.62 2 2 1 16 191.298 2

Activity (Go SEA)

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