UCSF

ZINC39869920

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 35 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) 6.00 12.66 -203.36 0 8 -3 134 485.497 8
Mid Mid (pH 6-8) 6.00 13.17 -127.99 1 8 -2 131 486.505 8

Activity (Go SEA)

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