UCSF

ZINC34625774

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 No

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) 1.89 5.79 -18.04 3 8 0 119 403.41 3
Mid Mid (pH 6-8) 1.52 3.44 -41.09 2 8 -1 125 402.402 3

Activity (Go SEA)

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