UCSF

ZINC36354924

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 24 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) 2.35 4.96 -10.58 2 5 0 71 323.327 2
Ref Reference (pH 7) 2.17 7.61 -10.93 2 5 0 67 323.327 2
Lo Low (pH 4.5-6) 2.17 8.07 -45.62 3 5 1 68 324.335 2

Activity (Go SEA)

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