UCSF

ZINC36860865

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) -0.10 1.19 -7.99 2 5 0 55 222.292 1
Mid Mid (pH 6-8) -0.10 3.54 -43.33 3 5 1 56 223.3 1

Activity (Go SEA)

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