UCSF

ZINC37859166

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 19 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) 0.95 1.61 -44.66 3 6 1 83 308.449 8
Mid Mid (pH 6-8) 1.40 -0.72 -60.56 2 6 0 87 307.441 8

Activity (Go SEA)

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