UCSF

ZINC44888043

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 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) -0.94 -0.29 -44.24 1 11 -1 139 288.251 5
Lo Low (pH 4.5-6) -0.94 -0.02 -19.2 2 11 0 140 289.259 5

Activity (Go SEA)

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