UCSF

ZINC30534177

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 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) 0.23 3.5 -65.93 2 5 1 74 260.383 6
Mid Mid (pH 6-8) 0.23 1.15 -16.23 1 5 0 73 259.375 6

Activity (Go SEA)

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