UCSF

ZINC36781710

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 0.94 3.78 -49.74 2 6 -1 98 279.316 5
Lo Low (pH 4.5-6) 0.94 1.83 -10.43 3 6 0 95 280.324 5

Activity (Go SEA)

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