UCSF

ZINC38041637

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2009 20 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) 2.58 8.03 -100.78 3 3 2 24 281.488 5
Hi High (pH 8-9.5) 2.58 6.14 -34.27 2 3 1 23 280.48 5
Lo Low (pH 4.5-6) 2.58 10.39 -180.58 4 3 3 25 282.496 5

Activity (Go SEA)

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