UCSF

ZINC36137426

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 1.31 4.73 -71.49 3 6 -1 112 289.311 4
Lo Low (pH 4.5-6) 1.31 2.71 -21.64 4 6 0 109 290.319 4

Activity (Go SEA)

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