UCSF

ZINC36154446

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 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) 3.63 8.26 -51.24 3 4 1 62 328.461 4
Hi High (pH 8-9.5) 4.09 5.93 -42.27 2 4 0 65 327.453 4
Hi High (pH 8-9.5) 3.63 7.05 -10.23 2 4 0 58 327.453 4

Activity (Go SEA)

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