UCSF

ZINC34963648

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 1.32 3.52 -101.38 4 3 2 35 261.822 3
Hi High (pH 8-9.5) 1.32 1.01 -2.89 2 3 0 32 259.806 3
Mid Mid (pH 6-8) 1.32 1.16 -47.63 3 3 1 34 260.814 3

Activity (Go SEA)

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