UCSF

ZINC36270821

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 22 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) 4.34 10.53 -38.31 1 3 1 31 302.438 4
Hi High (pH 8-9.5) 4.34 7.9 -5.93 0 3 0 30 301.43 4

Activity (Go SEA)

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