UCSF

ZINC37044723

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.74 -0.13 -53.92 5 6 1 103 304.367 6
Hi High (pH 8-9.5) 0.74 -0.23 -50.93 3 6 -1 103 302.351 6
Mid Mid (pH 6-8) 0.74 0.04 -75.63 4 6 0 105 303.359 6

Activity (Go SEA)

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