UCSF

ZINC37812724

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) -0.34 0.86 -43.45 3 4 1 51 212.317 1
Hi High (pH 8-9.5) -0.34 0.54 -6.18 2 4 0 50 211.309 1
Mid Mid (pH 6-8) -0.34 3.1 -98.28 4 4 2 52 213.325 1

Activity (Go SEA)

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