UCSF

ZINC37812213

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 No

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) 1.71 6.35 -39.04 2 4 1 37 288.481 8
Mid Mid (pH 6-8) 1.71 7.58 -107.76 3 4 2 41 289.489 8

Activity (Go SEA)

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