UCSF

ZINC37800962

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -0.54 -0.78 -50.97 4 6 1 80 257.358 5
Hi High (pH 8-9.5) -0.54 -1.12 -14.56 3 6 0 79 256.35 5
Mid Mid (pH 6-8) -0.54 1.38 -107.74 5 6 2 81 258.366 5

Activity (Go SEA)

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