UCSF

ZINC60701180

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 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) 4.23 9.02 -32.08 2 2 1 29 247.406 6
Hi High (pH 8-9.5) 4.23 8.73 -2.52 1 2 0 25 246.398 6
Lo Low (pH 4.5-6) 4.23 8.57 -28.02 2 2 1 26 247.406 6

Activity (Go SEA)

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