UCSF

ZINC41195557

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 19 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) 4.56 8.74 -36.79 2 2 1 29 281.489 7
Hi High (pH 8-9.5) 4.56 7.79 -4.28 1 2 0 25 280.481 7
Lo Low (pH 4.5-6) 4.56 9.35 -95 3 2 2 31 282.497 7

Activity (Go SEA)

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