UCSF

ZINC60029648

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 16 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) 0.12 8.73 -73.53 2 4 1 49 229.344 7
Hi High (pH 8-9.5) 0.12 6.93 -55.07 1 4 0 48 228.336 7
Mid Mid (pH 6-8) 0.12 6.64 -29.5 1 4 0 48 228.336 7

Activity (Go SEA)

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