UCSF

ZINC36139301

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 22 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) 1.39 6.48 -44.7 1 5 1 51 299.398 2
Mid Mid (pH 6-8) 1.39 4.26 -12.2 0 5 0 49 298.39 2

Activity (Go SEA)

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