UCSF

ZINC48371964

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 18 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) 1.24 8.94 -41.94 1 5 0 81 247.298 6
Mid Mid (pH 6-8) 1.24 8.94 -41.14 0 5 -1 80 246.29 6

Activity (Go SEA)

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