UCSF

ZINC37393605

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 15 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) -1.23 -2.04 -44.51 4 5 1 69 216.305 5
Hi High (pH 8-9.5) -1.23 -2.38 -9.2 3 5 0 68 215.297 5
Mid Mid (pH 6-8) -1.23 0.24 -94.34 5 5 2 70 217.313 5

Activity (Go SEA)

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