UCSF

ZINC37812630

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -0.27 3.94 -93.89 3 4 2 41 199.298 2
Hi High (pH 8-9.5) -0.27 0.27 -7.21 1 4 0 36 197.282 2
Mid Mid (pH 6-8) -0.27 1.7 -41.03 2 4 1 40 198.29 2

Activity (Go SEA)

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