UCSF

ZINC37171768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.39 4.36 -39.29 2 3 1 37 173.28 6
Hi High (pH 8-9.5) 1.39 2.92 -7.64 1 3 0 32 172.272 6

Activity (Go SEA)

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