UCSF

ZINC45105839

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 14 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) 1.23 3.87 -34.31 4 3 1 42 194.302 4
Hi High (pH 8-9.5) 1.23 1.64 -2.59 3 3 0 41 193.294 4
Lo Low (pH 4.5-6) 1.23 3.73 -84.8 5 3 2 44 195.31 4

Activity (Go SEA)

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