UCSF

ZINC41652252

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 2.36 9.71 -59.95 0 4 -1 58 265.292 4
Lo Low (pH 4.5-6) 2.36 10.06 -81.7 1 4 0 59 266.3 4

Activity (Go SEA)

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