UCSF

ZINC69131508

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 26 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) 3.00 7.52 -11.27 0 5 0 41 372.469 3
Mid Mid (pH 6-8) 3.00 9.87 -52.26 1 5 1 43 373.477 3

Activity (Go SEA)

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