UCSF

ZINC36770218

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) 2.05 6.87 -60.97 0 6 -1 70 274.3 3
Lo Low (pH 4.5-6) 2.05 7.91 -31.48 1 6 0 71 275.308 3

Activity (Go SEA)

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