UCSF

ZINC36985502

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 3.27 7.22 -7.12 1 3 0 38 303.159 2
Lo Low (pH 4.5-6) 3.27 7.7 -32.29 2 3 1 39 304.167 2

Activity (Go SEA)

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