UCSF

ZINC36145837

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 32 No

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) 4.50 9.99 -42.7 2 6 1 65 462.01 12
Hi High (pH 8-9.5) 4.50 7.49 -13.24 1 6 0 64 461.002 12

Activity (Go SEA)

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