UCSF

ZINC37995513

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) -0.90 -0.11 -20.26 1 6 0 70 263.363 4
Mid Mid (pH 6-8) -0.90 1.19 -60.36 2 6 1 74 264.371 4

Activity (Go SEA)

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