UCSF

ZINC35206549

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 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) -0.13 4.07 -46.29 1 5 -1 82 221.236 5
Lo Low (pH 4.5-6) -0.13 2.09 -10.06 2 5 0 79 222.244 5
Lo Low (pH 4.5-6) -0.13 2.55 -42.2 3 5 1 81 223.252 5
Lo Low (pH 4.5-6) -0.13 4.53 -68.43 2 5 0 83 222.244 5

Activity (Go SEA)

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