UCSF

ZINC36775597

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 1.10 5.08 -10.58 2 4 0 59 275.739 3
Lo Low (pH 4.5-6) 1.10 5.53 -37.64 3 4 1 60 276.747 3

Activity (Go SEA)

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