UCSF

ZINC37461296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 12 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 3.57 -47.69 1 4 -1 69 168.172 3
Lo Low (pH 4.5-6) 0.13 1.58 -8.82 2 4 0 66 169.18 3

Activity (Go SEA)

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