UCSF

ZINC53443795

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 1.18 2.66 -36.26 2 4 1 38 233.376 12
Hi High (pH 8-9.5) 1.18 1.3 -3.24 1 4 0 34 232.368 12
Lo Low (pH 4.5-6) 1.18 5.08 -105.87 3 4 2 40 234.384 12

Activity (Go SEA)

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