UCSF

ZINC36611295

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 35 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) 2.98 7.1 -12.23 2 10 0 115 489.569 12
Mid Mid (pH 6-8) 2.98 9.45 -49.25 3 10 1 117 490.577 12

Activity (Go SEA)

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