UCSF

ZINC44221563

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 25 No

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) 7.94 15.07 -46.77 0 3 -1 53 351.551 18
Lo Low (pH 4.5-6) 7.94 13.09 -8.28 1 3 0 50 352.559 18

Activity (Go SEA)

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