UCSF

ZINC36135449

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 12 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) -1.27 -0.14 -44.91 4 4 1 68 173.236 2
Hi High (pH 8-9.5) -1.27 -0.54 -7.27 3 4 0 67 172.228 2

Activity (Go SEA)

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