UCSF

ZINC70518106

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 3.60 6.97 -39.51 3 3 1 46 286.395 6
Hi High (pH 8-9.5) 3.60 4.89 -5.41 2 3 0 41 285.387 6

Activity (Go SEA)

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