UCSF

ZINC37405141

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 14 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) 2.39 5.01 -39.58 2 2 1 26 192.282 2
Hi High (pH 8-9.5) 2.39 3.74 -2.81 1 2 0 21 191.274 2

Activity (Go SEA)

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