UCSF

ZINC36968722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 12 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) -0.11 -2.76 -11.02 2 5 0 79 208.264 2
Mid Mid (pH 6-8) 0.35 -5 -41.42 1 5 -1 82 207.256 2

Activity (Go SEA)

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