UCSF

ZINC53129998

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 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) 0.13 3.12 -45.67 0 6 -1 92 218.192 4
Lo Low (pH 4.5-6) 0.13 3.58 -54.74 1 6 0 93 219.2 4

Activity (Go SEA)

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