UCSF

ZINC38002418

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 3.11 5.14 -45.13 4 3 1 56 313.244 3
Hi High (pH 8-9.5) 3.11 4.9 -7.34 3 3 0 55 312.236 3
Lo Low (pH 4.5-6) 3.11 5.53 -110.14 5 3 2 58 314.252 3

Activity (Go SEA)

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