UCSF

ZINC37339709

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 2.83 8.29 -34.94 1 3 1 25 275.416 4
Hi High (pH 8-9.5) 2.83 6.08 -6.94 0 3 0 24 274.408 4
Mid Mid (pH 6-8) 2.83 8.16 -34.4 1 3 1 25 275.416 4

Activity (Go SEA)

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