UCSF

ZINC37997013

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 2.61 4.9 -4.11 1 4 0 34 292.423 8
Mid Mid (pH 6-8) 2.61 5.98 -39.32 2 4 1 38 293.431 8
Lo Low (pH 4.5-6) 2.61 6.62 -38.64 2 4 1 35 293.431 8

Activity (Go SEA)

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