UCSF

ZINC36747145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 13 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) -1.79 -1.2 -53.99 3 6 -1 112 187.175 6
Lo Low (pH 4.5-6) -1.79 -3.17 -17.26 4 6 0 109 188.183 6

Activity (Go SEA)

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